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

C5H6ClF2N3 — CID 19622832

IUPAC4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine
SMILESNc1nn(CC(F)F)cc1Cl
InChIInChI=1S/C5H6ClF2N3/c6-3-1-11(2-4(7)8)10-5(3)9/h1,4H,2H2,(H2,9,10)
InChIKeySFCCYWQUJYGGJE-UHFFFAOYSA-N
MW181.57 g/mol
LogP1.38
Rot. Bonds2

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

4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine (PubChem CID 19622832) has the molecular formula C5H6ClF2N3 and a molecular weight of 181.57 g/mol. Its IUPAC name is 4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine
PubChem CID19622832
Molecular FormulaC5H6ClF2N3
Molecular Weight181.57 g/mol
Exact Mass181.02
IUPAC Name4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine
SMILESNc1nn(CC(F)F)cc1Cl
InChIInChI=1S/C5H6ClF2N3/c6-3-1-11(2-4(7)8)10-5(3)9/h1,4H,2H2,(H2,9,10)
InChIKeySFCCYWQUJYGGJE-UHFFFAOYSA-N
XLogP1.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.57
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine?
The IUPAC name of 4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine (CID 19622832) is 4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine is Nc1nn(CC(F)F)cc1Cl.
What is the InChIKey of 4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine?
The InChIKey is SFCCYWQUJYGGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClF2N3/c6-3-1-11(2-4(7)8)10-5(3)9/h1,4H,2H2,(H2,9,10).
What are the key properties of 4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine?
4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine has a molecular weight of 181.57 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 19622832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).