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

C8H14ClF2N3 — CID 71757567

IUPAC3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride
SMILESCC(C)Cn1cc(N)c(C(F)F)n1.Cl
InChIInChI=1S/C8H13F2N3.ClH/c1-5(2)3-13-4-6(11)7(12-13)8(9)10;/h4-5,8H,3,11H2,1-2H3;1H
InChIKeyNDMMPGBCOVFJGI-UHFFFAOYSA-N
MW225.67 g/mol
LogP2.48
Rot. Bonds3

About 3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride

3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride (PubChem CID 71757567) has the molecular formula C8H14ClF2N3 and a molecular weight of 225.67 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride
PubChem CID71757567
Molecular FormulaC8H14ClF2N3
Molecular Weight225.67 g/mol
Exact Mass225.08
IUPAC Name3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride
SMILESCC(C)Cn1cc(N)c(C(F)F)n1.Cl
InChIInChI=1S/C8H13F2N3.ClH/c1-5(2)3-13-4-6(11)7(12-13)8(9)10;/h4-5,8H,3,11H2,1-2H3;1H
InChIKeyNDMMPGBCOVFJGI-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 3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride?
The IUPAC name of 3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride (CID 71757567) is 3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for 3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride is CC(C)Cn1cc(N)c(C(F)F)n1.Cl.
What is the InChIKey of 3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride?
The InChIKey is NDMMPGBCOVFJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3.ClH/c1-5(2)3-13-4-6(11)7(12-13)8(9)10;/h4-5,8H,3,11H2,1-2H3;1H.
What are the key properties of 3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride?
3-(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 3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 71757567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).