2-(2-fluoro-4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide

C16H15FN4O — CID 165392036

IUPAC2-(2-fluoro-4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide
SMILESCc1ccc(-c2[nH]c(-c3cnn(C)c3)cc2C(N)=O)c(F)c1
InChIInChI=1S/C16H15FN4O/c1-9-3-4-11(13(17)5-9)15-12(16(18)22)6-14(20-15)10-7-19-21(2)8-10/h3-8,20H,1-2H3,(H2,18,22)
InChIKeyWQSGTUKLAHGMGD-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.63
Rot. Bonds3

About 2-(2-fluoro-4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide

2-(2-fluoro-4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide (PubChem CID 165392036) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide
PubChem CID165392036
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name2-(2-fluoro-4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide
SMILESCc1ccc(-c2[nH]c(-c3cnn(C)c3)cc2C(N)=O)c(F)c1
InChIInChI=1S/C16H15FN4O/c1-9-3-4-11(13(17)5-9)15-12(16(18)22)6-14(20-15)10-7-19-21(2)8-10/h3-8,20H,1-2H3,(H2,18,22)
InChIKeyWQSGTUKLAHGMGD-UHFFFAOYSA-N
XLogP2.63
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoro-4-methylphenyl)-1H-pyrrole-3-carboxamide
CID 165391924
4-(2-fluoro-4-methylphenyl)-1-methylpyrazole
CID 121373425
4-(2-fluoro-5-methylphenyl)-1-methylpyrazole
CID 59578603
N-(2-fluoro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634528
4-bromo-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-7-carboxamide
CID 129265147
2-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide;ethane
CID 176976548
2-fluoro-5-(1-methylpyrazol-4-yl)benzoic acid
CID 39826399
2-[(2-fluoro-5-methylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288212
2-(4-fluoro-2-methylphenyl)-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106716380
2-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide
CID 25005711
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
3-fluoro-4-(1-methylpyrazol-4-yl)benzoic acid;methyl 3-fluoro-4-(1-methylpyrazol-4-yl)benzoate
CID 162091971

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(2-fluoro-4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide (CID 165392036) is 2-(2-fluoro-4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide is Cc1ccc(-c2[nH]c(-c3cnn(C)c3)cc2C(N)=O)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is WQSGTUKLAHGMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-9-3-4-11(13(17)5-9)15-12(16(18)22)6-14(20-15)10-7-19-21(2)8-10/h3-8,20H,1-2H3,(H2,18,22).
What are the key properties of 2-(2-fluoro-4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide?
2-(2-fluoro-4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 165392036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).