1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C15H14N4O — CID 53015687

IUPAC1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(N)=O)c2-n2cccc2)c1
InChIInChI=1S/C15H14N4O/c1-11-5-4-6-12(9-11)19-15(18-7-2-3-8-18)13(10-17-19)14(16)20/h2-10H,1H3,(H2,16,20)
InChIKeyHORFCYRLPCDCGW-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.07
Rot. Bonds3

About 1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 53015687) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID53015687
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(N)=O)c2-n2cccc2)c1
InChIInChI=1S/C15H14N4O/c1-11-5-4-6-12(9-11)19-15(18-7-2-3-8-18)13(10-17-19)14(16)20/h2-10H,1H3,(H2,16,20)
InChIKeyHORFCYRLPCDCGW-UHFFFAOYSA-N
XLogP2.07
TPSA65.84 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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 46261236
azepan-1-yl-[1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20936773
N-butan-2-yl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936756
N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936831
N-(2-chlorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936757
N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936768
N-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936842
1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 2765904
1-(3-methylphenyl)-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)urea
CID 11428281
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936812
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915052
N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20885984

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 53015687) is 1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is Cc1cccc(-n2ncc(C(N)=O)c2-n2cccc2)c1.
What is the InChIKey of 1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is HORFCYRLPCDCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11-5-4-6-12(9-11)19-15(18-7-2-3-8-18)13(10-17-19)14(16)20/h2-10H,1H3,(H2,16,20).
What are the key properties of 1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 53015687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).