N-[5-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]cyclohexanecarboxamide

C16H23F2N3O2 — CID 139539306

IUPACN-[5-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cnn(C2CCCCO2)c1C(F)F)C1CCCCC1
InChIInChI=1S/C16H23F2N3O2/c17-15(18)14-12(20-16(22)11-6-2-1-3-7-11)10-19-21(14)13-8-4-5-9-23-13/h10-11,13,15H,1-9H2,(H,20,22)
InChIKeyINBPNFKWILPSQT-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.04
Rot. Bonds4

About N-[5-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]cyclohexanecarboxamide

N-[5-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]cyclohexanecarboxamide (PubChem CID 139539306) has the molecular formula C16H23F2N3O2 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]cyclohexanecarboxamide
PubChem CID139539306
Molecular FormulaC16H23F2N3O2
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC NameN-[5-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cnn(C2CCCCO2)c1C(F)F)C1CCCCC1
InChIInChI=1S/C16H23F2N3O2/c17-15(18)14-12(20-16(22)11-6-2-1-3-7-11)10-19-21(14)13-8-4-5-9-23-13/h10-11,13,15H,1-9H2,(H,20,22)
InChIKeyINBPNFKWILPSQT-UHFFFAOYSA-N
XLogP4.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]carbamate
CID 146598357
Ethyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
CID 146598928
(2R,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide
CID 167211970
Ethyl 2-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]acetate
CID 167439907
[4-Amino-3-(difluoromethyl)pyrazol-1-yl]methyl cyclohexanecarboxylate
CID 175931227
N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]cyclohexanecarboxamide
CID 19340856
N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-3-(oxolan-2-yl)propanamide
CID 132289063
(4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide
CID 166160302
(2R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide
CID 166160798
N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3,5-dimethyloxolane-2-carboxamide
CID 166161004
N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide
CID 166161030
2-[5-(aminomethyl)oxolan-3-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]acetamide
CID 166278329

Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]cyclohexanecarboxamide (CID 139539306) is N-[5-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]cyclohexanecarboxamide is O=C(Nc1cnn(C2CCCCO2)c1C(F)F)C1CCCCC1.
What is the InChIKey of N-[5-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]cyclohexanecarboxamide?
The InChIKey is INBPNFKWILPSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O2/c17-15(18)14-12(20-16(22)11-6-2-1-3-7-11)10-19-21(14)13-8-4-5-9-23-13/h10-11,13,15H,1-9H2,(H,20,22).
What are the key properties of N-[5-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]cyclohexanecarboxamide?
N-[5-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]cyclohexanecarboxamide has a molecular weight of 327.38 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 139539306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).