N-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C15H12F2N4O — CID 38004934

IUPACN-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccc(F)cc2F)c1-n1cccc1
InChIInChI=1S/C15H12F2N4O/c1-20-15(21-6-2-3-7-21)11(9-18-20)14(22)19-13-5-4-10(16)8-12(13)17/h2-9H,1H3,(H,19,22)
InChIKeyYAVIREUIBUFGCI-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.74
Rot. Bonds3

About N-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 38004934) has the molecular formula C15H12F2N4O and a molecular weight of 302.28 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID38004934
Molecular FormulaC15H12F2N4O
Molecular Weight302.28 g/mol
Exact Mass302.10
IUPAC NameN-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccc(F)cc2F)c1-n1cccc1
InChIInChI=1S/C15H12F2N4O/c1-20-15(21-6-2-3-7-21)11(9-18-20)14(22)19-13-5-4-10(16)8-12(13)17/h2-9H,1H3,(H,19,22)
InChIKeyYAVIREUIBUFGCI-UHFFFAOYSA-N
XLogP2.74
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-1-methyl-5-nitropyrazole-4-carboxamide
CID 2819094
N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43059423
N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38230240
1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38105120
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
1-(2,4-difluorophenyl)-N-(3-methyl-2-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51055137
1-(2,4-difluorophenyl)-N-pyridin-3-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51052884
N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685919
1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl fluoride
CID 58724547
1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33159734
1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55576681
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38024054

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 38004934) is N-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2ccc(F)cc2F)c1-n1cccc1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is YAVIREUIBUFGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O/c1-20-15(21-6-2-3-7-21)11(9-18-20)14(22)19-13-5-4-10(16)8-12(13)17/h2-9H,1H3,(H,19,22).
What are the key properties of N-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 302.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 38004934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).