5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride

C8H14ClF2N3 — CID 71757423

IUPAC5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride
SMILESCC(C)Cn1ncc(N)c1C(F)F.Cl
InChIInChI=1S/C8H13F2N3.ClH/c1-5(2)4-13-7(8(9)10)6(11)3-12-13;/h3,5,8H,4,11H2,1-2H3;1H
InChIKeyIKMOWIVRBGGVJL-UHFFFAOYSA-N
MW225.67 g/mol
LogP2.48
Rot. Bonds3

About 5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride

5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride (PubChem CID 71757423) has the molecular formula C8H14ClF2N3 and a molecular weight of 225.67 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride
PubChem CID71757423
Molecular FormulaC8H14ClF2N3
Molecular Weight225.67 g/mol
Exact Mass225.08
IUPAC Name5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride
SMILESCC(C)Cn1ncc(N)c1C(F)F.Cl
InChIInChI=1S/C8H13F2N3.ClH/c1-5(2)4-13-7(8(9)10)6(11)3-12-13;/h3,5,8H,4,11H2,1-2H3;1H
InChIKeyIKMOWIVRBGGVJL-UHFFFAOYSA-N
XLogP2.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride?
The IUPAC name of 5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride (CID 71757423) is 5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for 5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride is CC(C)Cn1ncc(N)c1C(F)F.Cl.
What is the InChIKey of 5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride?
The InChIKey is IKMOWIVRBGGVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3.ClH/c1-5(2)4-13-7(8(9)10)6(11)3-12-13;/h3,5,8H,4,11H2,1-2H3;1H.
What are the key properties of 5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride?
5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride has a molecular weight of 225.67 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 71757423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).