1-(2,2-difluoroethyl)-3-ethylpyrazol-4-amine;hydrochloride

C7H12ClF2N3 — CID 171156670

IUPAC1-(2,2-difluoroethyl)-3-ethylpyrazol-4-amine;hydrochloride
SMILESCCc1nn(CC(F)F)cc1N.Cl
InChIInChI=1S/C7H11F2N3.ClH/c1-2-6-5(10)3-12(11-6)4-7(8)9;/h3,7H,2,4,10H2,1H3;1H
InChIKeyYPEITZMZOVOWES-UHFFFAOYSA-N
MW211.64 g/mol
LogP1.71
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-ethylpyrazol-4-amine;hydrochloride

1-(2,2-difluoroethyl)-3-ethylpyrazol-4-amine;hydrochloride (PubChem CID 171156670) has the molecular formula C7H12ClF2N3 and a molecular weight of 211.64 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-ethylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-ethylpyrazol-4-amine;hydrochloride
PubChem CID171156670
Molecular FormulaC7H12ClF2N3
Molecular Weight211.64 g/mol
Exact Mass211.07
IUPAC Name1-(2,2-difluoroethyl)-3-ethylpyrazol-4-amine;hydrochloride
SMILESCCc1nn(CC(F)F)cc1N.Cl
InChIInChI=1S/C7H11F2N3.ClH/c1-2-6-5(10)3-12(11-6)4-7(8)9;/h3,7H,2,4,10H2,1H3;1H
InChIKeyYPEITZMZOVOWES-UHFFFAOYSA-N
XLogP1.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.64
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-ethylpyrazol-4-amine;hydrochloride?
The IUPAC name of 1-(2,2-difluoroethyl)-3-ethylpyrazol-4-amine;hydrochloride (CID 171156670) is 1-(2,2-difluoroethyl)-3-ethylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-ethylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-ethylpyrazol-4-amine;hydrochloride is CCc1nn(CC(F)F)cc1N.Cl.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-ethylpyrazol-4-amine;hydrochloride?
The InChIKey is YPEITZMZOVOWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3.ClH/c1-2-6-5(10)3-12(11-6)4-7(8)9;/h3,7H,2,4,10H2,1H3;1H.
What are the key properties of 1-(2,2-difluoroethyl)-3-ethylpyrazol-4-amine;hydrochloride?
1-(2,2-difluoroethyl)-3-ethylpyrazol-4-amine;hydrochloride has a molecular weight of 211.64 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-ethylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 171156670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).