N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide

C12H13N3O2 — CID 45285310

IUPACN-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C12H13N3O2/c1-8-11(7-15(2)14-8)12(17)13-9-3-5-10(16)6-4-9/h3-7,16H,1-2H3,(H,13,17)
InChIKeyITIYCMQRCLTPAS-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.69
Rot. Bonds2

About N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide

N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 45285310) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID45285310
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C12H13N3O2/c1-8-11(7-15(2)14-8)12(17)13-9-3-5-10(16)6-4-9/h3-7,16H,1-2H3,(H,13,17)
InChIKeyITIYCMQRCLTPAS-UHFFFAOYSA-N
XLogP1.69
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306
N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103895193
1,3-dimethyl-N-(4-nitrophenyl)pyrazole-4-carboxamide
CID 19474760
N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801604
1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide
CID 102801381
N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103789989
N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801382
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321
1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 19474862
1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide
CID 19474955
1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097610
N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 158670361

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 45285310) is N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is ITIYCMQRCLTPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-11(7-15(2)14-8)12(17)13-9-3-5-10(16)6-4-9/h3-7,16H,1-2H3,(H,13,17).
What are the key properties of N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 45285310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).