3-[(4,4-difluorocyclohexyl)methyl]-1-(difluoromethyl)pyrazole-5-carboxamide

C12H15F4N3O — CID 175397110

IUPAC3-[(4,4-difluorocyclohexyl)methyl]-1-(difluoromethyl)pyrazole-5-carboxamide
SMILESNC(=O)c1cc(CC2CCC(F)(F)CC2)nn1C(F)F
InChIInChI=1S/C12H15F4N3O/c13-11(14)19-9(10(17)20)6-8(18-19)5-7-1-3-12(15,16)4-2-7/h6-7,11H,1-5H2,(H2,17,20)
InChIKeyCDLDXHANKZRMTD-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.75
Rot. Bonds4

About 3-[(4,4-difluorocyclohexyl)methyl]-1-(difluoromethyl)pyrazole-5-carboxamide

3-[(4,4-difluorocyclohexyl)methyl]-1-(difluoromethyl)pyrazole-5-carboxamide (PubChem CID 175397110) has the molecular formula C12H15F4N3O and a molecular weight of 293.26 g/mol. Its IUPAC name is 3-[(4,4-difluorocyclohexyl)methyl]-1-(difluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4,4-difluorocyclohexyl)methyl]-1-(difluoromethyl)pyrazole-5-carboxamide
PubChem CID175397110
Molecular FormulaC12H15F4N3O
Molecular Weight293.26 g/mol
Exact Mass293.12
IUPAC Name3-[(4,4-difluorocyclohexyl)methyl]-1-(difluoromethyl)pyrazole-5-carboxamide
SMILESNC(=O)c1cc(CC2CCC(F)(F)CC2)nn1C(F)F
InChIInChI=1S/C12H15F4N3O/c13-11(14)19-9(10(17)20)6-8(18-19)5-7-1-3-12(15,16)4-2-7/h6-7,11H,1-5H2,(H2,17,20)
InChIKeyCDLDXHANKZRMTD-UHFFFAOYSA-N
XLogP2.75
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
CID 118433286
5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
CID 118433073
2-Cyclopropylpyrazolo[1,5-a]pyrazin-4-ol
CID 86276588
(3-Tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 2746450
1-ethyl-3-isobutyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 70771440
[(1R)-1-[(3-cyclohexyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutyl]boronic acid
CID 177377110
5-cyclopropyl-N-[4-(difluoromethyl)cyclohexyl]-1-methylpyrazole-3-carboxamide
CID 136547209
N-[4-(difluoromethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 137995839
3-cyclopropyl-N-[1-ethyl-4-(trifluoromethyl)piperidin-4-yl]-1-methylpyrazole-5-carboxamide
CID 138017574
1-[5-Propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone
CID 18466677
1-Cyclopropyl-3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propane-1,3-dione
CID 68755569
3-(4-Fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 69409794

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-difluorocyclohexyl)methyl]-1-(difluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-[(4,4-difluorocyclohexyl)methyl]-1-(difluoromethyl)pyrazole-5-carboxamide (CID 175397110) is 3-[(4,4-difluorocyclohexyl)methyl]-1-(difluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(4,4-difluorocyclohexyl)methyl]-1-(difluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-[(4,4-difluorocyclohexyl)methyl]-1-(difluoromethyl)pyrazole-5-carboxamide is NC(=O)c1cc(CC2CCC(F)(F)CC2)nn1C(F)F.
What is the InChIKey of 3-[(4,4-difluorocyclohexyl)methyl]-1-(difluoromethyl)pyrazole-5-carboxamide?
The InChIKey is CDLDXHANKZRMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N3O/c13-11(14)19-9(10(17)20)6-8(18-19)5-7-1-3-12(15,16)4-2-7/h6-7,11H,1-5H2,(H2,17,20).
What are the key properties of 3-[(4,4-difluorocyclohexyl)methyl]-1-(difluoromethyl)pyrazole-5-carboxamide?
3-[(4,4-difluorocyclohexyl)methyl]-1-(difluoromethyl)pyrazole-5-carboxamide has a molecular weight of 293.26 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-difluorocyclohexyl)methyl]-1-(difluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 175397110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).