3-(1-Pyrazolyl)aniline - CAS 184097-88-9
Catalog: |
BB014116 |
Product Name: |
3-(1-Pyrazolyl)aniline |
CAS: |
184097-88-9 |
Synonyms: |
3-(1-pyrazolyl)aniline; 3-pyrazol-1-ylaniline |
IUPAC Name: | 3-pyrazol-1-ylaniline |
Description: | 3-(1-Pyrazolyl)aniline (CAS# 184097-88-9) is a useful research chemical. |
Molecular Weight: | 159.19 |
Molecular Formula: | C9H9N3 |
Canonical SMILES: | C1=CC(=CC(=C1)N)N2C=CC=N2 |
InChI: | InChI=1S/C9H9N3/c10-8-3-1-4-9(7-8)12-6-2-5-11-12/h1-7H,10H2 |
InChI Key: | GDTZRPGWZFOSSY-UHFFFAOYSA-N |
Boiling Point: | 328.229 °C at 760 mmHg |
Density: | 1.2 g/cm3 |
MDL: | MFCD08059554 |
LogP: | 2.03570 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020252151-A1 | Cot modulators and methods of use thereof | 20190614 |
EP-3787630-A1 | Ferrochelatase inhibitors and methods of use | 20180430 |
CN-110312724-A | Substituted thiazole as MALT1 inhibitor simultaneously-pyridine compounds | 20160729 |
WO-2017060874-A1 | N-sulfonylated pyrazolo[3,4-b]pyridin-6-carboxamides and method of use | 20151009 |
CN-105517999-A | Ido inhibitors | 20130711 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.079647300 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.079647300 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Amines and Anilines
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