3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-amine

C8H11F2N3 — CID 145428232

IUPAC3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-amine
SMILESNc1cn(CC(F)F)nc1C1CC1
InChIInChI=1S/C8H11F2N3/c9-7(10)4-13-3-6(11)8(12-13)5-1-2-5/h3,5,7H,1-2,4,11H2
InChIKeyDKGXUZMLUTWBJV-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.61
Rot. Bonds3

About 3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-amine

3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-amine (PubChem CID 145428232) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-amine
PubChem CID145428232
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-amine
SMILESNc1cn(CC(F)F)nc1C1CC1
InChIInChI=1S/C8H11F2N3/c9-7(10)4-13-3-6(11)8(12-13)5-1-2-5/h3,5,7H,1-2,4,11H2
InChIKeyDKGXUZMLUTWBJV-UHFFFAOYSA-N
XLogP1.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-amine?
The IUPAC name of 3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-amine (CID 145428232) is 3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-amine?
The canonical SMILES for 3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-amine is Nc1cn(CC(F)F)nc1C1CC1.
What is the InChIKey of 3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-amine?
The InChIKey is DKGXUZMLUTWBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c9-7(10)4-13-3-6(11)8(12-13)5-1-2-5/h3,5,7H,1-2,4,11H2.
What are the key properties of 3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-amine?
3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-amine has a molecular weight of 187.19 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-amine is sourced from PubChem (CID 145428232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).