4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexan-1-amine

C10H15F2N3 — CID 146345370

IUPAC4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexan-1-amine
SMILESNC1CCC(c2cnn(C(F)F)c2)CC1
InChIInChI=1S/C10H15F2N3/c11-10(12)15-6-8(5-14-15)7-1-3-9(13)4-2-7/h5-7,9-10H,1-4,13H2
InChIKeyQCPNJUCQAHMXJR-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.26
Rot. Bonds2

About 4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexan-1-amine

4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexan-1-amine (PubChem CID 146345370) has the molecular formula C10H15F2N3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexan-1-amine
PubChem CID146345370
Molecular FormulaC10H15F2N3
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexan-1-amine
SMILESNC1CCC(c2cnn(C(F)F)c2)CC1
InChIInChI=1S/C10H15F2N3/c11-10(12)15-6-8(5-14-15)7-1-3-9(13)4-2-7/h5-7,9-10H,1-4,13H2
InChIKeyQCPNJUCQAHMXJR-UHFFFAOYSA-N
XLogP2.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 63085164
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
cyclobutyl(1-methyl-1H-pyrazol-4-yl)methanamine
CID 43124235
4-(1-methyl-1H-pyrazol-4-yl)butan-2-amine
CID 62127805
{[1-ethyl-2-(1-methyl-1H-pyrazol-4-yl)piperidin-3-yl]methyl}(methyl)amine
CID 64067740
3-cyclopropyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 121570471
4-[3,3-Difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine
CID 18187752
3-Fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine
CID 70847466
4-(3-Methylbutan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 118301775
[3-(trifluoromethyl)-1-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazol-4-yl]methanamine
CID 122456123
1-(2,2-Difluoroethyl)-4-octan-2-ylpyrazole
CID 126500106
4-Hexan-3-yl-1-(5,5,5-trifluoropentyl)pyrazole
CID 129166805

Frequently Asked Questions

What is the IUPAC name of 4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexan-1-amine?
The IUPAC name of 4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexan-1-amine (CID 146345370) is 4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexan-1-amine is NC1CCC(c2cnn(C(F)F)c2)CC1.
What is the InChIKey of 4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexan-1-amine?
The InChIKey is QCPNJUCQAHMXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3/c11-10(12)15-6-8(5-14-15)7-1-3-9(13)4-2-7/h5-7,9-10H,1-4,13H2.
What are the key properties of 4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexan-1-amine?
4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexan-1-amine has a molecular weight of 215.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexan-1-amine is sourced from PubChem (CID 146345370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).