tert-butyl N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]carbamate

C15H23F2N3O2 — CID 156823462

IUPACtert-butyl N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cn(C2CCCCC2)nc1C(F)F
InChIInChI=1S/C15H23F2N3O2/c1-15(2,3)22-14(21)18-11-9-20(19-12(11)13(16)17)10-7-5-4-6-8-10/h9-10,13H,4-8H2,1-3H3,(H,18,21)
InChIKeyPWKRPDPTYBMSNA-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.67
Rot. Bonds3

About tert-butyl N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]carbamate

tert-butyl N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]carbamate (PubChem CID 156823462) has the molecular formula C15H23F2N3O2 and a molecular weight of 315.36 g/mol. Its IUPAC name is tert-butyl N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]carbamate
PubChem CID156823462
Molecular FormulaC15H23F2N3O2
Molecular Weight315.36 g/mol
Exact Mass315.18
IUPAC Nametert-butyl N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cn(C2CCCCC2)nc1C(F)F
InChIInChI=1S/C15H23F2N3O2/c1-15(2,3)22-14(21)18-11-9-20(19-12(11)13(16)17)10-7-5-4-6-8-10/h9-10,13H,4-8H2,1-3H3,(H,18,21)
InChIKeyPWKRPDPTYBMSNA-UHFFFAOYSA-N
XLogP4.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 4-amino-3-methyl-1H-pyrazole-1-carboxylate
CID 60027404
tert-butyl N-(5-(difluoromethyl)-1-(piperidin-4-yl)-1H-pyrazol-4-yl)carbamate
CID 138005997
tert-butyl N-(1-(piperidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-4-yl)carbamate
CID 138047230
tert-butyl N-(5-ethynyl-1-methyl-1H-pyrazol-4-yl)carbamate
CID 155820579
tert-Butyl (3S)-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}piperazine-1-carboxylate
CID 57744184
1-(4,4-Difluorocyclohexyl)-3-methylpyrazol-4-amine
CID 69281478
Tert-butyl 3-(4-amino-5-methylpyrazol-1-yl)-4,4-difluoropiperidine-1-carboxylate
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[3-(Difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]carbamic acid
CID 122673478
tert-butyl (3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
CID 124616177
tert-butyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate
CID 129047148
tert-butyl N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]carbamate
CID 130730956
Tert-butyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
CID 135342070

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]carbamate (CID 156823462) is tert-butyl N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]carbamate is CC(C)(C)OC(=O)Nc1cn(C2CCCCC2)nc1C(F)F.
What is the InChIKey of tert-butyl N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]carbamate?
The InChIKey is PWKRPDPTYBMSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O2/c1-15(2,3)22-14(21)18-11-9-20(19-12(11)13(16)17)10-7-5-4-6-8-10/h9-10,13H,4-8H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]carbamate?
tert-butyl N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]carbamate has a molecular weight of 315.36 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 156823462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).