2-(4,4-difluorocyclohexyl)pyrazol-3-amine

C9H13F2N3 — CID 84733810

IUPAC2-(4,4-difluorocyclohexyl)pyrazol-3-amine
SMILESNc1ccnn1C1CCC(F)(F)CC1
InChIInChI=1S/C9H13F2N3/c10-9(11)4-1-7(2-5-9)14-8(12)3-6-13-14/h3,6-7H,1-2,4-5,12H2
InChIKeyATPOZYGLWWWOMS-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.22
Rot. Bonds1

About 2-(4,4-difluorocyclohexyl)pyrazol-3-amine

2-(4,4-difluorocyclohexyl)pyrazol-3-amine (PubChem CID 84733810) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)pyrazol-3-amine
PubChem CID84733810
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name2-(4,4-difluorocyclohexyl)pyrazol-3-amine
SMILESNc1ccnn1C1CCC(F)(F)CC1
InChIInChI=1S/C9H13F2N3/c10-9(11)4-1-7(2-5-9)14-8(12)3-6-13-14/h3,6-7H,1-2,4-5,12H2
InChIKeyATPOZYGLWWWOMS-UHFFFAOYSA-N
XLogP2.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)pyrazol-3-amine?
The IUPAC name of 2-(4,4-difluorocyclohexyl)pyrazol-3-amine (CID 84733810) is 2-(4,4-difluorocyclohexyl)pyrazol-3-amine.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)pyrazol-3-amine?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)pyrazol-3-amine is Nc1ccnn1C1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)pyrazol-3-amine?
The InChIKey is ATPOZYGLWWWOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c10-9(11)4-1-7(2-5-9)14-8(12)3-6-13-14/h3,6-7H,1-2,4-5,12H2.
What are the key properties of 2-(4,4-difluorocyclohexyl)pyrazol-3-amine?
2-(4,4-difluorocyclohexyl)pyrazol-3-amine has a molecular weight of 201.22 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)pyrazol-3-amine is sourced from PubChem (CID 84733810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).