1-Benzyl-3-(hydroxymethyl)pyrazole - CAS 102846-11-7
Catalog: |
BB000957 |
Product Name: |
1-Benzyl-3-(hydroxymethyl)pyrazole |
CAS: |
102846-11-7 |
Synonyms: |
[1-(phenylmethyl)-3-pyrazolyl]methanol; (1-benzylpyrazol-3-yl)methanol |
IUPAC Name: | (1-benzylpyrazol-3-yl)methanol |
Description: | 1-Benzyl-3-(hydroxymethyl)pyrazole (CAS# 102846-11-7 ) is a useful research chemical. |
Molecular Weight: | 188.23 |
Molecular Formula: | C11H12N2O |
Canonical SMILES: | C1=CC=C(C=C1)CN2C=CC(=N2)CO |
InChI: | InChI=1S/C11H12N2O/c14-9-11-6-7-13(12-11)8-10-4-2-1-3-5-10/h1-7,14H,8-9H2 |
InChI Key: | QVEQOOSUPOKDAZ-UHFFFAOYSA-N |
Boiling Point: | 150 - 153 °C (1.2 mmHg) |
LogP: | 1.42370 |
Publication Number | Title | Priority Date |
WO-0239997-A2 | Ace-2 modulating compounds and use thereof | 20001101 |
US-2004082496-A1 | ACE-2 modulating compounds and methods of use thereof | 19990430 |
US-7045532-B2 | ACE-2 modulating compounds and methods of use thereof | 19990430 |
ES-342556-A1 | PROCEDURE FOR THE PREPARATION OF THE 3- (PIPERACINOAL-QUIL) -PIRAZOLES. | 19660702 |
GB-1124710-A | 3-(piperazinoalkyl)-pyrazoles and their preparation | 19660702 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.094963011 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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