[3-[3-[(1-methylcyclohexanecarbonyl)amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate

C23H28F2N4O3 — CID 11236187

IUPAC[3-[3-[(1-methylcyclohexanecarbonyl)amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate
SMILESCC1(C(=O)Nc2cc(C3CC(OC(=O)NCc4c(F)cccc4F)C3)[nH]n2)CCCCC1
InChIInChI=1S/C23H28F2N4O3/c1-23(8-3-2-4-9-23)21(30)27-20-12-19(28-29-20)14-10-15(11-14)32-22(31)26-13-16-17(24)6-5-7-18(16)25/h5-7,12,14-15H,2-4,8-11,13H2,1H3,(H,26,31)(H2,27,28,29,30)
InChIKeyPWQBPZVOVRMODR-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.77
Rot. Bonds6

About [3-[3-[(1-methylcyclohexanecarbonyl)amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate

[3-[3-[(1-methylcyclohexanecarbonyl)amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate (PubChem CID 11236187) has the molecular formula C23H28F2N4O3 and a molecular weight of 446.50 g/mol. Its IUPAC name is [3-[3-[(1-methylcyclohexanecarbonyl)amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate.

Molecular Properties

Compound Name[3-[3-[(1-methylcyclohexanecarbonyl)amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate
PubChem CID11236187
Molecular FormulaC23H28F2N4O3
Molecular Weight446.50 g/mol
Exact Mass446.21
IUPAC Name[3-[3-[(1-methylcyclohexanecarbonyl)amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate
SMILESCC1(C(=O)Nc2cc(C3CC(OC(=O)NCc4c(F)cccc4F)C3)[nH]n2)CCCCC1
InChIInChI=1S/C23H28F2N4O3/c1-23(8-3-2-4-9-23)21(30)27-20-12-19(28-29-20)14-10-15(11-14)32-22(31)26-13-16-17(24)6-5-7-18(16)25/h5-7,12,14-15H,2-4,8-11,13H2,1H3,(H,26,31)(H2,27,28,29,30)
InChIKeyPWQBPZVOVRMODR-UHFFFAOYSA-N
XLogP4.77
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [3-[3-[(1-methylcyclohexanecarbonyl)amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethylpentan-3-yl N-[(3S)-1,2-dioxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]heptan-3-yl]carbamate
CID 11189948
(1-ethylcyclobutyl)methyl N-[(3S)-1,2-dioxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]heptan-3-yl]carbamate
CID 11385151
(3-ethyloxetan-3-yl)methyl N-[(3S)-1,2-dioxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]heptan-3-yl]carbamate
CID 11408098
(1-ethylcyclopentyl)methyl N-[(3S)-1,2-dioxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]heptan-3-yl]carbamate
CID 11775397
[(1R,3S)-3-[3-[(2-phenylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 168296883
[(1R,3S)-3-[3-[(2-phenylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 168272356
[(1S,3R)-3-[3-[(2-phenylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 168291741
isopropyl 4-[4-[2-(4-fluorophenyl)ethyl]-5-hydroxy-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyrazol-3-yl]piperidine-1-carboxylate
CID 163202268
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 10363106
[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate
CID 11292559
[3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate
CID 11304796
[3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate
CID 11440749

Frequently Asked Questions

What is the IUPAC name of [3-[3-[(1-methylcyclohexanecarbonyl)amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate?
The IUPAC name of [3-[3-[(1-methylcyclohexanecarbonyl)amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate (CID 11236187) is [3-[3-[(1-methylcyclohexanecarbonyl)amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate.
What is the SMILES notation for [3-[3-[(1-methylcyclohexanecarbonyl)amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate?
The canonical SMILES for [3-[3-[(1-methylcyclohexanecarbonyl)amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate is CC1(C(=O)Nc2cc(C3CC(OC(=O)NCc4c(F)cccc4F)C3)[nH]n2)CCCCC1.
What is the InChIKey of [3-[3-[(1-methylcyclohexanecarbonyl)amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate?
The InChIKey is PWQBPZVOVRMODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N4O3/c1-23(8-3-2-4-9-23)21(30)27-20-12-19(28-29-20)14-10-15(11-14)32-22(31)26-13-16-17(24)6-5-7-18(16)25/h5-7,12,14-15H,2-4,8-11,13H2,1H3,(H,26,31)(H2,27,28,29,30).
What are the key properties of [3-[3-[(1-methylcyclohexanecarbonyl)amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate?
[3-[3-[(1-methylcyclohexanecarbonyl)amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate has a molecular weight of 446.50 g/mol, XLogP of 4.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(1-methylcyclohexanecarbonyl)amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate is sourced from PubChem (CID 11236187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).