4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide

C14H14F2N4O2 — CID 69378981

IUPAC4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1[nH]ncc1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H14F2N4O2/c1-7(2)18-14(22)12-11(6-17-20-12)19-13(21)9-4-3-8(15)5-10(9)16/h3-7H,1-2H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyATSXCFXGEDYNOW-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.08
Rot. Bonds4

About 4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide

4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 69378981) has the molecular formula C14H14F2N4O2 and a molecular weight of 308.29 g/mol. Its IUPAC name is 4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
PubChem CID69378981
Molecular FormulaC14H14F2N4O2
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1[nH]ncc1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H14F2N4O2/c1-7(2)18-14(22)12-11(6-17-20-12)19-13(21)9-4-3-8(15)5-10(9)16/h3-7H,1-2H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyATSXCFXGEDYNOW-UHFFFAOYSA-N
XLogP2.08
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-[(2,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 69378336
4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 69378466
N-[5-(propan-2-ylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide
CID 69379543
4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 59733435
N-propan-2-yl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide
CID 69380132
4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
CID 24662064
N-[2-(1-aminoethyl)phenyl]-2,4-difluorobenzamide
CID 16785051
N-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
CID 42959972
N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide
CID 47317531
N-(5-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 7899666
4-[(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 69379969
N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 2572466

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide (CID 69378981) is 4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide is CC(C)NC(=O)c1[nH]ncc1NC(=O)c1ccc(F)cc1F.
What is the InChIKey of 4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is ATSXCFXGEDYNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O2/c1-7(2)18-14(22)12-11(6-17-20-12)19-13(21)9-4-3-8(15)5-10(9)16/h3-7H,1-2H3,(H,17,20)(H,18,22)(H,19,21).
What are the key properties of 4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 308.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69378981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).