N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide

C11H15F2N3O — CID 141144476

IUPACN-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCC(F)(F)CC2)n1
InChIInChI=1S/C11H15F2N3O/c1-16-7-4-9(15-16)10(17)14-8-2-5-11(12,13)6-3-8/h4,7-8H,2-3,5-6H2,1H3,(H,14,17)
InChIKeyFDKVHGYGQYJPIB-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.73
Rot. Bonds2

About N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide

N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide (PubChem CID 141144476) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
PubChem CID141144476
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC NameN-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCC(F)(F)CC2)n1
InChIInChI=1S/C11H15F2N3O/c1-16-7-4-9(15-16)10(17)14-8-2-5-11(12,13)6-3-8/h4,7-8H,2-3,5-6H2,1H3,(H,14,17)
InChIKeyFDKVHGYGQYJPIB-UHFFFAOYSA-N
XLogP1.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
CID 55276477
Pyrazolo[1,5-a]pyrazin-4-ol
CID 58157139
4-bromo-N-cyclohexyl-1-methyl-1H-pyrazole-3-carboxamide
CID 661401
N-cyclopentyl-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
CID 903107
N-cyclohexyl-4-iodo-1-methylpyrazole-3-carboxamide
CID 903180
6-methyl-4H,5H-pyrazolo(1,5-a)pyrazin-4-one
CID 126694545
2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide
CID 72151204
1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide
CID 91920116
N-(6-methoxyhexyl)-2-methylpyrazole-3-carboxamide
CID 137640519

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide (CID 141144476) is N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NC2CCC(F)(F)CC2)n1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is FDKVHGYGQYJPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c1-16-7-4-9(15-16)10(17)14-8-2-5-11(12,13)6-3-8/h4,7-8H,2-3,5-6H2,1H3,(H,14,17).
What are the key properties of N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide?
N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 243.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 141144476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).