N-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide

C13H15N3O2 — CID 113290195

IUPACN-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)n(C)n2)cc1O
InChIInChI=1S/C13H15N3O2/c1-8-4-5-10(7-12(8)17)14-13(18)11-6-9(2)16(3)15-11/h4-7,17H,1-3H3,(H,14,18)
InChIKeyGUAGYWFDCOBMCK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.99
Rot. Bonds2

About N-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide

N-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 113290195) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID113290195
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)n(C)n2)cc1O
InChIInChI=1S/C13H15N3O2/c1-8-4-5-10(7-12(8)17)14-13(18)11-6-9(2)16(3)15-11/h4-7,17H,1-3H3,(H,14,18)
InChIKeyGUAGYWFDCOBMCK-UHFFFAOYSA-N
XLogP1.99
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 110685830
4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 113263077
N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685819
N-(3,5-difluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 163344155
N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279593
4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide
CID 113290191
N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 119438262
N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide
CID 130485672
1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
CID 679026
N-(3-chloro-4-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47001423
N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 837218
4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-3-carboxamide
CID 107701234

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide (CID 113290195) is N-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(C)n(C)n2)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is GUAGYWFDCOBMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-4-5-10(7-12(8)17)14-13(18)11-6-9(2)16(3)15-11/h4-7,17H,1-3H3,(H,14,18).
What are the key properties of N-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide?
N-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 113290195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).