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

C16H16F2N4O2 — CID 69378336

IUPACN-cyclopentyl-4-[(2,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)NC1CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H16F2N4O2/c17-9-5-6-11(12(18)7-9)15(23)21-13-8-19-22-14(13)16(24)20-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,19,22)(H,20,24)(H,21,23)
InChIKeyFSPHMPPVMLJNMG-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.61
Rot. Bonds4

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

N-cyclopentyl-4-[(2,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 69378336) has the molecular formula C16H16F2N4O2 and a molecular weight of 334.33 g/mol. Its IUPAC name is N-cyclopentyl-4-[(2,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[(2,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID69378336
Molecular FormulaC16H16F2N4O2
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC NameN-cyclopentyl-4-[(2,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)NC1CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H16F2N4O2/c17-9-5-6-11(12(18)7-9)15(23)21-13-8-19-22-14(13)16(24)20-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,19,22)(H,20,24)(H,21,23)
InChIKeyFSPHMPPVMLJNMG-UHFFFAOYSA-N
XLogP2.61
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 69378981
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
N-cyclohexyl-4-[(2-ethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;methanol
CID 143263304
4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 69378466
N-cyclohexyl-4-[(4-methoxythiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxamide
CID 66978495
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59733301
N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 30670029
4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 58696395
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59862670
N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 17487252
N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 162236390
3-N-cyclopentyl-1-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109051946

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(2,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-4-[(2,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide (CID 69378336) is N-cyclopentyl-4-[(2,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[(2,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[(2,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide is O=C(Nc1cn[nH]c1C(=O)NC1CCCC1)c1ccc(F)cc1F.
What is the InChIKey of N-cyclopentyl-4-[(2,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is FSPHMPPVMLJNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2/c17-9-5-6-11(12(18)7-9)15(23)21-13-8-19-22-14(13)16(24)20-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,19,22)(H,20,24)(H,21,23).
What are the key properties of N-cyclopentyl-4-[(2,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
N-cyclopentyl-4-[(2,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 334.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(2,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69378336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).