3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-amine

C11H17F2N3 — CID 175624874

IUPAC3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-amine
SMILESCC1CCC(n2cc(N)c(C(F)F)n2)CC1
InChIInChI=1S/C11H17F2N3/c1-7-2-4-8(5-3-7)16-6-9(14)10(15-16)11(12)13/h6-8,11H,2-5,14H2,1H3
InChIKeyWPJUPRVMXLVKQB-UHFFFAOYSA-N
MW229.27 g/mol
LogP3.15
Rot. Bonds2

About 3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-amine

3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-amine (PubChem CID 175624874) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-amine
PubChem CID175624874
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-amine
SMILESCC1CCC(n2cc(N)c(C(F)F)n2)CC1
InChIInChI=1S/C11H17F2N3/c1-7-2-4-8(5-3-7)16-6-9(14)10(15-16)11(12)13/h6-8,11H,2-5,14H2,1H3
InChIKeyWPJUPRVMXLVKQB-UHFFFAOYSA-N
XLogP3.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-amine?
The IUPAC name of 3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-amine (CID 175624874) is 3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-amine.
What is the SMILES notation for 3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-amine?
The canonical SMILES for 3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-amine is CC1CCC(n2cc(N)c(C(F)F)n2)CC1.
What is the InChIKey of 3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-amine?
The InChIKey is WPJUPRVMXLVKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-7-2-4-8(5-3-7)16-6-9(14)10(15-16)11(12)13/h6-8,11H,2-5,14H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-amine?
3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-amine has a molecular weight of 229.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-amine is sourced from PubChem (CID 175624874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).