3-amino-N-(4-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide

C11H12N4O2 — CID 107733021

IUPAC3-amino-N-(4-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1cc(N)n[nH]1)c1ccc(O)cc1
InChIInChI=1S/C11H12N4O2/c1-15(7-2-4-8(16)5-3-7)11(17)9-6-10(12)14-13-9/h2-6,16H,1H3,(H3,12,13,14)
InChIKeyQKKIFIQBWAJTQE-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.97
Rot. Bonds2

About 3-amino-N-(4-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide

3-amino-N-(4-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 107733021) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID107733021
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name3-amino-N-(4-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1cc(N)n[nH]1)c1ccc(O)cc1
InChIInChI=1S/C11H12N4O2/c1-15(7-2-4-8(16)5-3-7)11(17)9-6-10(12)14-13-9/h2-6,16H,1H3,(H3,12,13,14)
InChIKeyQKKIFIQBWAJTQE-UHFFFAOYSA-N
XLogP0.97
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(4-hydroxyphenyl)-N-methyl-1H-indazole-3-carboxamide
CID 107733029
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1H-pyrazole-5-carboxamide
CID 64524032
3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523107
3-amino-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523848
3-amino-N,N-bis(2-methylpropyl)-1H-pyrazole-5-carboxamide
CID 64523835
N-(4-hydroxyphenyl)-N-methyl-1H-indole-2-carboxamide
CID 28739354
N-(4-hydroxyphenyl)-N-methyl-4-nitro-1H-pyrrole-2-carboxamide
CID 28741041
4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 107734400
3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide
CID 64524424
3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523095
3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739062
5-amino-2-(dimethylamino)-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 107733000

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(4-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide (CID 107733021) is 3-amino-N-(4-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(4-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(4-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide is CN(C(=O)c1cc(N)n[nH]1)c1ccc(O)cc1.
What is the InChIKey of 3-amino-N-(4-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is QKKIFIQBWAJTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15(7-2-4-8(16)5-3-7)11(17)9-6-10(12)14-13-9/h2-6,16H,1H3,(H3,12,13,14).
What are the key properties of 3-amino-N-(4-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
3-amino-N-(4-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 107733021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).