3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide

C17H16N4O2 — CID 666109

IUPAC3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(O)c(-c2cc(C(=O)NCc3ccncc3)[nH]n2)c1
InChIInChI=1S/C17H16N4O2/c1-11-2-3-16(22)13(8-11)14-9-15(21-20-14)17(23)19-10-12-4-6-18-7-5-12/h2-9,22H,10H2,1H3,(H,19,23)(H,20,21)
InChIKeyNCAGVSHCBONDJT-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.42
Rot. Bonds4

About 3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide

3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 666109) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID666109
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(O)c(-c2cc(C(=O)NCc3ccncc3)[nH]n2)c1
InChIInChI=1S/C17H16N4O2/c1-11-2-3-16(22)13(8-11)14-9-15(21-20-14)17(23)19-10-12-4-6-18-7-5-12/h2-9,22H,10H2,1H3,(H,19,23)(H,20,21)
InChIKeyNCAGVSHCBONDJT-UHFFFAOYSA-N
XLogP2.42
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-ethyl-2-hydroxyphenyl)-N-(pyridin-3-yl)-1H-pyrazole-3-carboxamide
CID 1856804
3-(5-chloro-2-hydroxyphenyl)-N-(3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 1969650
(5E)-5-(3,4-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-pyridin-3-yl-1,2-dihydropyrazole-3-carboxamide
CID 1970728
N'-(3-Hydroxybenzylidene)-3-(1-ME-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 5345858
(5E)-N-(2,5-dimethylphenyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide
CID 1872658
5-(2-hydroxy-3,4-dimethylphenyl)-N-(pyridin-3-yl)-1H-pyrazole-3-carboxamide
CID 1938961
5-(2-hydroxy-5-methylphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1939904
(5E)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-pyridin-3-yl-1,2-dihydropyrazole-3-carboxamide
CID 1974306
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 24965371
(9S)-16-hydroxy-9-methyl-N-(2-pyridin-3-ylethyl)-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaene-5-carboxamide
CID 44403837
N-[1-(3-hydroxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
CID 50898243
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 54581121

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide (CID 666109) is 3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide is Cc1ccc(O)c(-c2cc(C(=O)NCc3ccncc3)[nH]n2)c1.
What is the InChIKey of 3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is NCAGVSHCBONDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-2-3-16(22)13(8-11)14-9-15(21-20-14)17(23)19-10-12-4-6-18-7-5-12/h2-9,22H,10H2,1H3,(H,19,23)(H,20,21).
What are the key properties of 3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 666109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).