1-(4-Methoxyphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile - CAS 1170965-84-0
Catalog: |
BB048184 |
Product Name: |
1-(4-Methoxyphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile |
CAS: |
1170965-84-0 |
Synonyms: |
1-(4-methoxyphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile |
IUPAC Name: | 1-(4-methoxyphenyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile |
Description: | 1-(4-Methoxyphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile (CAS# 1170965-84-0 ) is a useful research chemical. |
Molecular Weight: | 264.28 |
Molecular Formula: | C15H12N4O |
Canonical SMILES: | COC1=CC=C(C=C1)N2C(=C(C=N2)C#N)N3C=CC=C3 |
InChI: | InChI=1S/C15H12N4O/c1-20-14-6-4-13(5-7-14)19-15(12(10-16)11-17-19)18-8-2-3-9-18/h2-9,11H,1H3 |
InChI Key: | LWFYYENYUJQUFS-UHFFFAOYSA-N |
Purity: | 97 % |
Complexity: | 365 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.10111102 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.10111102 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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