N-cyclohexyl-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide

C17H18F2N4O2 — CID 24971319

IUPACN-cyclohexyl-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1[nH]ncc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H18F2N4O2/c18-11-7-4-8-12(19)14(11)16(24)22-13-9-20-23-15(13)17(25)21-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,20,23)(H,21,25)(H,22,24)
InChIKeyGJHVXBPCYTULDM-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.00
Rot. Bonds4

About N-cyclohexyl-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide

N-cyclohexyl-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 24971319) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is N-cyclohexyl-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID24971319
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC NameN-cyclohexyl-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1[nH]ncc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H18F2N4O2/c18-11-7-4-8-12(19)14(11)16(24)22-13-9-20-23-15(13)17(25)21-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,20,23)(H,21,25)(H,22,24)
InChIKeyGJHVXBPCYTULDM-UHFFFAOYSA-N
XLogP3.00
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide
CID 11338033
4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 24864077
1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 716930
(4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4H-pyrazole-3-carboxamide
CID 24864078
(((2,6-difluorophenyl)carbonyl)amino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 24864079
4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 24864082
{[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 11268094
Pyrazole diamide, 21
CID 24971317
N-(Cyclopropylmethyl)-4-(2,6-difluorobenzamido)-1H-pyrazole-3-carboxamide
CID 24971318
Pyrazole diamide, 26
CID 24971320
Pyrazole diamide, 27
CID 24971321
Pyrazole diamide, 30
CID 24971322

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide (CID 24971319) is N-cyclohexyl-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide is O=C(NC1CCCCC1)c1[nH]ncc1NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-cyclohexyl-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is GJHVXBPCYTULDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2/c18-11-7-4-8-12(19)14(11)16(24)22-13-9-20-23-15(13)17(25)21-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,20,23)(H,21,25)(H,22,24).
What are the key properties of N-cyclohexyl-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
N-cyclohexyl-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 348.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 24971319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).