3-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide

C18H17N3O3 — CID 666046

IUPAC3-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1
InChIInChI=1S/C18H17N3O3/c1-24-13-8-6-12(7-9-13)11-19-18(23)16-10-15(20-21-16)14-4-2-3-5-17(14)22/h2-10,22H,11H2,1H3,(H,19,23)(H,20,21)
InChIKeyJBSSYSIPWWBTAV-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.72
Rot. Bonds5

About 3-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide

3-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 666046) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID666046
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1
InChIInChI=1S/C18H17N3O3/c1-24-13-8-6-12(7-9-13)11-19-18(23)16-10-15(20-21-16)14-4-2-3-5-17(14)22/h2-10,22H,11H2,1H3,(H,19,23)(H,20,21)
InChIKeyJBSSYSIPWWBTAV-UHFFFAOYSA-N
XLogP2.72
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 760982
N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 1954624
3-(5-bromo-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 135507502
N-(3,4-dimethylphenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 1855608
(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-5-methylphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1939904
5-(2-hydroxy-3,5-dimethylphenyl)-N-(4-methoxybenzyl)-1H-pyrazole-3-carboxamide
CID 2031826
N-[4-(acetylamino)phenyl]-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
CID 2039042
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide
CID 1872467
2-(4-((5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxamido)methyl)-2-methylphenoxy)-2-methylpropanoic acid
CID 11247908
N-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide
CID 89777800

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide (CID 666046) is 3-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide is COc1ccc(CNC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is JBSSYSIPWWBTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-24-13-8-6-12(7-9-13)11-19-18(23)16-10-15(20-21-16)14-4-2-3-5-17(14)22/h2-10,22H,11H2,1H3,(H,19,23)(H,20,21).
What are the key properties of 3-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
3-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 666046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).