3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide

C17H17ClF2N4O2 — CID 15948590

IUPAC3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)n[nH]1
InChIInChI=1S/C17H17ClF2N4O2/c18-11-7-13(20)12(19)6-10(11)16(25)22-15-8-14(23-24-15)17(26)21-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,21,26)(H2,22,23,24,25)
InChIKeyDTLODKISMPAWMH-UHFFFAOYSA-N
MW382.80 g/mol
LogP3.66
Rot. Bonds4

About 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide

3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide (PubChem CID 15948590) has the molecular formula C17H17ClF2N4O2 and a molecular weight of 382.80 g/mol. Its IUPAC name is 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide
PubChem CID15948590
Molecular FormulaC17H17ClF2N4O2
Molecular Weight382.80 g/mol
Exact Mass382.10
IUPAC Name3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)n[nH]1
InChIInChI=1S/C17H17ClF2N4O2/c18-11-7-13(20)12(19)6-10(11)16(25)22-15-8-14(23-24-15)17(26)21-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,21,26)(H2,22,23,24,25)
InChIKeyDTLODKISMPAWMH-UHFFFAOYSA-N
XLogP3.66
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.80
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[[3-[(2-chloro-4,5-difluorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-4-carboxylic acid
CID 90850846
2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide
CID 119388800
1-cyclohexyloxycarbonyloxyethyl 4-[[3-[(2-chloro-4,5-difluorobenzoyl)amino]-1H-pyrazole-5-carbonyl]-methylamino]benzoate
CID 58810428
3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-N-ethyl-1H-pyrazole-5-carboxamide;dihydrochloride
CID 69278555
N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514437
3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 58810240
3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 58810350
3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[(4-ethyl-2-methyl-1,3-oxazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 15947474
N-(1,3-benzothiazol-2-ylmethyl)-3-[(2-chloro-4,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 15948358
2,4-dichloro-N-[3-(cyclohexylamino)-3-oxopropyl]-5-fluorobenzamide
CID 60552301
ethyl 3-[(4-chloro-2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 75501249
3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 58810334

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide (CID 15948590) is 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide is O=C(NC1CCCCC1)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)n[nH]1.
What is the InChIKey of 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide?
The InChIKey is DTLODKISMPAWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N4O2/c18-11-7-13(20)12(19)6-10(11)16(25)22-15-8-14(23-24-15)17(26)21-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,21,26)(H2,22,23,24,25).
What are the key properties of 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide?
3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide has a molecular weight of 382.80 g/mol, XLogP of 3.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 15948590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).