1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide

C15H14N4O — CID 110471452

IUPAC1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(-n3cccc3)c2)cn1
InChIInChI=1S/C15H14N4O/c1-18-11-12(10-16-18)15(20)17-13-5-4-6-14(9-13)19-7-2-3-8-19/h2-11H,1H3,(H,17,20)
InChIKeyCLRZZXXWINPSQN-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.46
Rot. Bonds3

About 1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide

1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide (PubChem CID 110471452) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide
PubChem CID110471452
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(-n3cccc3)c2)cn1
InChIInChI=1S/C15H14N4O/c1-18-11-12(10-16-18)15(20)17-13-5-4-6-14(9-13)19-7-2-3-8-19/h2-11H,1H3,(H,17,20)
InChIKeyCLRZZXXWINPSQN-UHFFFAOYSA-N
XLogP2.46
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 110461785
1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 18146246
3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide
CID 110726291
3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide
CID 155948039
N-[4-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 110695872
1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 19474638
ethyl 1-[3-[(1-methylpyrazole-4-carbonyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 34704453
N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide
CID 16610347
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 103824882
6-oxo-N-(3-pyrrol-1-ylphenyl)-1H-pyridine-3-carboxamide
CID 61242832
N-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19281171
1-methyl-N-[4-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
CID 47143175

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide (CID 110471452) is 1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2cccc(-n3cccc3)c2)cn1.
What is the InChIKey of 1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide?
The InChIKey is CLRZZXXWINPSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-18-11-12(10-16-18)15(20)17-13-5-4-6-14(9-13)19-7-2-3-8-19/h2-11H,1H3,(H,17,20).
What are the key properties of 1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide?
1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 110471452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).