3-(difluoromethyl)-1-[4-(methylaminomethyl)cyclohexyl]pyrazol-4-amine

C12H20F2N4 — CID 162349101

IUPAC3-(difluoromethyl)-1-[4-(methylaminomethyl)cyclohexyl]pyrazol-4-amine
SMILESCNCC1CCC(n2cc(N)c(C(F)F)n2)CC1
InChIInChI=1S/C12H20F2N4/c1-16-6-8-2-4-9(5-3-8)18-7-10(15)11(17-18)12(13)14/h7-9,12,16H,2-6,15H2,1H3
InChIKeyLTASWJHYXQLCHV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.35
Rot. Bonds4

About 3-(difluoromethyl)-1-[4-(methylaminomethyl)cyclohexyl]pyrazol-4-amine

3-(difluoromethyl)-1-[4-(methylaminomethyl)cyclohexyl]pyrazol-4-amine (PubChem CID 162349101) has the molecular formula C12H20F2N4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-[4-(methylaminomethyl)cyclohexyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-[4-(methylaminomethyl)cyclohexyl]pyrazol-4-amine
PubChem CID162349101
Molecular FormulaC12H20F2N4
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name3-(difluoromethyl)-1-[4-(methylaminomethyl)cyclohexyl]pyrazol-4-amine
SMILESCNCC1CCC(n2cc(N)c(C(F)F)n2)CC1
InChIInChI=1S/C12H20F2N4/c1-16-6-8-2-4-9(5-3-8)18-7-10(15)11(17-18)12(13)14/h7-9,12,16H,2-6,15H2,1H3
InChIKeyLTASWJHYXQLCHV-UHFFFAOYSA-N
XLogP2.35
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-[4-(methylaminomethyl)cyclohexyl]pyrazol-4-amine?
The IUPAC name of 3-(difluoromethyl)-1-[4-(methylaminomethyl)cyclohexyl]pyrazol-4-amine (CID 162349101) is 3-(difluoromethyl)-1-[4-(methylaminomethyl)cyclohexyl]pyrazol-4-amine.
What is the SMILES notation for 3-(difluoromethyl)-1-[4-(methylaminomethyl)cyclohexyl]pyrazol-4-amine?
The canonical SMILES for 3-(difluoromethyl)-1-[4-(methylaminomethyl)cyclohexyl]pyrazol-4-amine is CNCC1CCC(n2cc(N)c(C(F)F)n2)CC1.
What is the InChIKey of 3-(difluoromethyl)-1-[4-(methylaminomethyl)cyclohexyl]pyrazol-4-amine?
The InChIKey is LTASWJHYXQLCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N4/c1-16-6-8-2-4-9(5-3-8)18-7-10(15)11(17-18)12(13)14/h7-9,12,16H,2-6,15H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-[4-(methylaminomethyl)cyclohexyl]pyrazol-4-amine?
3-(difluoromethyl)-1-[4-(methylaminomethyl)cyclohexyl]pyrazol-4-amine has a molecular weight of 258.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-[4-(methylaminomethyl)cyclohexyl]pyrazol-4-amine is sourced from PubChem (CID 162349101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).