5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoro-4-methylphenyl)-1H-pyrrole-3-carboxamide

C17H17FN4O — CID 165391924

IUPAC5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoro-4-methylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1ccc(-c2[nH]c(-c3c(C)n[nH]c3C)cc2C(N)=O)c(F)c1
InChIInChI=1S/C17H17FN4O/c1-8-4-5-11(13(18)6-8)16-12(17(19)23)7-14(20-16)15-9(2)21-22-10(15)3/h4-7,20H,1-3H3,(H2,19,23)(H,21,22)
InChIKeyMGJDWPCOFDTXQS-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.24
Rot. Bonds3

About 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoro-4-methylphenyl)-1H-pyrrole-3-carboxamide

5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoro-4-methylphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 165391924) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoro-4-methylphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoro-4-methylphenyl)-1H-pyrrole-3-carboxamide
PubChem CID165391924
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoro-4-methylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1ccc(-c2[nH]c(-c3c(C)n[nH]c3C)cc2C(N)=O)c(F)c1
InChIInChI=1S/C17H17FN4O/c1-8-4-5-11(13(18)6-8)16-12(17(19)23)7-14(20-16)15-9(2)21-22-10(15)3/h4-7,20H,1-3H3,(H2,19,23)(H,21,22)
InChIKeyMGJDWPCOFDTXQS-UHFFFAOYSA-N
XLogP3.24
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide
CID 165392036
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorophenyl]ethanone
CID 121497770
5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524485
2-(2,4-difluorophenyl)-1H-pyrrole-3-carboxamide
CID 123993310
5-(3,4-difluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 116828389
5-(2,5-difluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 116828429
(2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63925434
2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62308714
2-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide;ethane
CID 176976548
4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide
CID 166873038
2-(2-fluoro-4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide
CID 165391729
2-acetyl-4-methylbenzamide
CID 163253724

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoro-4-methylphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoro-4-methylphenyl)-1H-pyrrole-3-carboxamide (CID 165391924) is 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoro-4-methylphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoro-4-methylphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoro-4-methylphenyl)-1H-pyrrole-3-carboxamide is Cc1ccc(-c2[nH]c(-c3c(C)n[nH]c3C)cc2C(N)=O)c(F)c1.
What is the InChIKey of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoro-4-methylphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is MGJDWPCOFDTXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-8-4-5-11(13(18)6-8)16-12(17(19)23)7-14(20-16)15-9(2)21-22-10(15)3/h4-7,20H,1-3H3,(H2,19,23)(H,21,22).
What are the key properties of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoro-4-methylphenyl)-1H-pyrrole-3-carboxamide?
5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoro-4-methylphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoro-4-methylphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 165391924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).