N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide

C12H13N3O2 — CID 113228891

IUPACN-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C12H13N3O2/c1-15-11(6-7-14-15)12(17)13-8-9-2-4-10(16)5-3-9/h2-7,16H,8H2,1H3,(H,13,17)
InChIKeyMJSCFWZSVZHVHA-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.06
Rot. Bonds3

About N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide

N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide (PubChem CID 113228891) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide
PubChem CID113228891
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC NameN-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C12H13N3O2/c1-15-11(6-7-14-15)12(17)13-8-9-2-4-10(16)5-3-9/h2-7,16H,8H2,1H3,(H,13,17)
InChIKeyMJSCFWZSVZHVHA-UHFFFAOYSA-N
XLogP1.06
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-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

N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 110467140
2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 174965768
2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide
CID 106385466
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
3-[[(2-methylpyrazole-3-carbonyl)amino]methyl]benzoic acid
CID 60894251
2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 131933266
2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide
CID 112528913
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 63359488
N-(1-benzofuran-3-ylmethyl)-2-methylpyrazole-3-carboxamide
CID 136525744
3-[3-[[(2-methylpyrazole-3-carbonyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76906079
N-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide
CID 62299080
N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide
CID 17167946

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide (CID 113228891) is N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is MJSCFWZSVZHVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-11(6-7-14-15)12(17)13-8-9-2-4-10(16)5-3-9/h2-7,16H,8H2,1H3,(H,13,17).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide?
N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 113228891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).