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

C21H26F2N4O2 — CID 70809851

IUPACN-(4-tert-butylcyclohexyl)-5-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-4-carboxamide
SMILESCC(C)(C)C1CCC(NC(=O)c2cn[nH]c2NC(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C21H26F2N4O2/c1-21(2,3)12-7-9-13(10-8-12)25-19(28)14-11-24-27-18(14)26-20(29)17-15(22)5-4-6-16(17)23/h4-6,11-13H,7-10H2,1-3H3,(H,25,28)(H2,24,26,27,29)
InChIKeyXYQZPPUMWDYLOA-UHFFFAOYSA-N
MW404.46 g/mol
LogP4.27
Rot. Bonds4

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

N-(4-tert-butylcyclohexyl)-5-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-4-carboxamide (PubChem CID 70809851) has the molecular formula C21H26F2N4O2 and a molecular weight of 404.46 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-5-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-5-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-4-carboxamide
PubChem CID70809851
Molecular FormulaC21H26F2N4O2
Molecular Weight404.46 g/mol
Exact Mass404.20
IUPAC NameN-(4-tert-butylcyclohexyl)-5-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-4-carboxamide
SMILESCC(C)(C)C1CCC(NC(=O)c2cn[nH]c2NC(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C21H26F2N4O2/c1-21(2,3)12-7-9-13(10-8-12)25-19(28)14-11-24-27-18(14)26-20(29)17-15(22)5-4-6-16(17)23/h4-6,11-13H,7-10H2,1-3H3,(H,25,28)(H2,24,26,27,29)
InChIKeyXYQZPPUMWDYLOA-UHFFFAOYSA-N
XLogP4.27
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(4-tert-butylcyclohexyl)-5-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

N-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 162148706
N-(4-tert-butylcyclohexyl)-5-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-4-carboxamide
CID 58091060
N-cyclopropyl-5-[(4-methylbenzoyl)amino]-1H-pyrazole-4-carboxamide
CID 167852623
4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 58696395
N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 162236390
4-benzamido-N-(4-tert-butylcyclohexyl)-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 158915340
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59733301
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59862670
4-[(2,6-difluorobenzoyl)amino]-N-[4-(oxan-3-ylmethyl)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 58094699
N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide
CID 58562268
2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385702

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-5-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)-5-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-4-carboxamide (CID 70809851) is N-(4-tert-butylcyclohexyl)-5-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-5-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-5-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-4-carboxamide is CC(C)(C)C1CCC(NC(=O)c2cn[nH]c2NC(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-5-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-4-carboxamide?
The InChIKey is XYQZPPUMWDYLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O2/c1-21(2,3)12-7-9-13(10-8-12)25-19(28)14-11-24-27-18(14)26-20(29)17-15(22)5-4-6-16(17)23/h4-6,11-13H,7-10H2,1-3H3,(H,25,28)(H2,24,26,27,29).
What are the key properties of N-(4-tert-butylcyclohexyl)-5-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-4-carboxamide?
N-(4-tert-butylcyclohexyl)-5-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-4-carboxamide has a molecular weight of 404.46 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-5-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 70809851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).