N-(3-hydroxy-2-pyridinyl)-1-methyl-5-phenylpyrazole-4-carboxamide

C16H14N4O2 — CID 86787813

IUPACN-(3-hydroxy-2-pyridinyl)-1-methyl-5-phenylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ncccc2O)c1-c1ccccc1
InChIInChI=1S/C16H14N4O2/c1-20-14(11-6-3-2-4-7-11)12(10-18-20)16(22)19-15-13(21)8-5-9-17-15/h2-10,21H,1H3,(H,17,19,22)
InChIKeyWLYDBPMSTUINBS-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.44
Rot. Bonds3

About N-(3-hydroxy-2-pyridinyl)-1-methyl-5-phenylpyrazole-4-carboxamide

N-(3-hydroxy-2-pyridinyl)-1-methyl-5-phenylpyrazole-4-carboxamide (PubChem CID 86787813) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-1-methyl-5-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-1-methyl-5-phenylpyrazole-4-carboxamide
PubChem CID86787813
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-(3-hydroxy-2-pyridinyl)-1-methyl-5-phenylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ncccc2O)c1-c1ccccc1
InChIInChI=1S/C16H14N4O2/c1-20-14(11-6-3-2-4-7-11)12(10-18-20)16(22)19-15-13(21)8-5-9-17-15/h2-10,21H,1H3,(H,17,19,22)
InChIKeyWLYDBPMSTUINBS-UHFFFAOYSA-N
XLogP2.44
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-2-pyridinyl)-2-methylbenzamide
CID 110462446
N-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide
CID 155551859
1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-methylpyrazole-4-carboxamide
CID 134026230
2,2-dimethyl-3-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 120528001
2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide
CID 110664738
N-(3-hydroxy-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 18109569
4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524602
N-(3,4-dihydro-2H-chromen-8-yl)-1-methyl-5-phenylpyrazole-4-carboxamide
CID 167848351
1-methyl-5-pyridin-2-ylpyrazole-4-carboxylic acid
CID 83819574
3-amino-N-(3-hydroxy-2-pyridinyl)naphthalene-2-carboxamide
CID 115597396
4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid
CID 120528638
3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525069

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-1-methyl-5-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-1-methyl-5-phenylpyrazole-4-carboxamide (CID 86787813) is N-(3-hydroxy-2-pyridinyl)-1-methyl-5-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-1-methyl-5-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-1-methyl-5-phenylpyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2ncccc2O)c1-c1ccccc1.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-1-methyl-5-phenylpyrazole-4-carboxamide?
The InChIKey is WLYDBPMSTUINBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-20-14(11-6-3-2-4-7-11)12(10-18-20)16(22)19-15-13(21)8-5-9-17-15/h2-10,21H,1H3,(H,17,19,22).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-1-methyl-5-phenylpyrazole-4-carboxamide?
N-(3-hydroxy-2-pyridinyl)-1-methyl-5-phenylpyrazole-4-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pyridinyl)-1-methyl-5-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 86787813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).