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

C8H11F2N3O — CID 146569693

IUPAC3-cyclopropyloxy-1-(2,2-difluoroethyl)pyrazol-4-amine
SMILESNc1cn(CC(F)F)nc1OC1CC1
InChIInChI=1S/C8H11F2N3O/c9-7(10)4-13-3-6(11)8(12-13)14-5-1-2-5/h3,5,7H,1-2,4,11H2
InChIKeyGVPRNKDJIBKWNQ-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.27
Rot. Bonds4

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

3-cyclopropyloxy-1-(2,2-difluoroethyl)pyrazol-4-amine (PubChem CID 146569693) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 3-cyclopropyloxy-1-(2,2-difluoroethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyloxy-1-(2,2-difluoroethyl)pyrazol-4-amine
PubChem CID146569693
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name3-cyclopropyloxy-1-(2,2-difluoroethyl)pyrazol-4-amine
SMILESNc1cn(CC(F)F)nc1OC1CC1
InChIInChI=1S/C8H11F2N3O/c9-7(10)4-13-3-6(11)8(12-13)14-5-1-2-5/h3,5,7H,1-2,4,11H2
InChIKeyGVPRNKDJIBKWNQ-UHFFFAOYSA-N
XLogP1.27
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyloxy-1-(2,2-difluoroethyl)pyrazol-4-amine?
The IUPAC name of 3-cyclopropyloxy-1-(2,2-difluoroethyl)pyrazol-4-amine (CID 146569693) is 3-cyclopropyloxy-1-(2,2-difluoroethyl)pyrazol-4-amine.
What is the SMILES notation for 3-cyclopropyloxy-1-(2,2-difluoroethyl)pyrazol-4-amine?
The canonical SMILES for 3-cyclopropyloxy-1-(2,2-difluoroethyl)pyrazol-4-amine is Nc1cn(CC(F)F)nc1OC1CC1.
What is the InChIKey of 3-cyclopropyloxy-1-(2,2-difluoroethyl)pyrazol-4-amine?
The InChIKey is GVPRNKDJIBKWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c9-7(10)4-13-3-6(11)8(12-13)14-5-1-2-5/h3,5,7H,1-2,4,11H2.
What are the key properties of 3-cyclopropyloxy-1-(2,2-difluoroethyl)pyrazol-4-amine?
3-cyclopropyloxy-1-(2,2-difluoroethyl)pyrazol-4-amine has a molecular weight of 203.19 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyloxy-1-(2,2-difluoroethyl)pyrazol-4-amine is sourced from PubChem (CID 146569693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).