3-(difluoromethyl)-1-methylpyrazol-4-amine;hydrochloride

C5H8ClF2N3 — CID 121215468

IUPAC3-(difluoromethyl)-1-methylpyrazol-4-amine;hydrochloride
SMILESCl.Cn1cc(N)c(C(F)F)n1
InChIInChI=1S/C5H7F2N3.ClH/c1-10-2-3(8)4(9-10)5(6)7;/h2,5H,8H2,1H3;1H
InChIKeySEZFDWWCNAXYLL-UHFFFAOYSA-N
MW183.59 g/mol
LogP1.36
Rot. Bonds1

About 3-(difluoromethyl)-1-methylpyrazol-4-amine;hydrochloride

3-(difluoromethyl)-1-methylpyrazol-4-amine;hydrochloride (PubChem CID 121215468) has the molecular formula C5H8ClF2N3 and a molecular weight of 183.59 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methylpyrazol-4-amine;hydrochloride
PubChem CID121215468
Molecular FormulaC5H8ClF2N3
Molecular Weight183.59 g/mol
Exact Mass183.04
IUPAC Name3-(difluoromethyl)-1-methylpyrazol-4-amine;hydrochloride
SMILESCl.Cn1cc(N)c(C(F)F)n1
InChIInChI=1S/C5H7F2N3.ClH/c1-10-2-3(8)4(9-10)5(6)7;/h2,5H,8H2,1H3;1H
InChIKeySEZFDWWCNAXYLL-UHFFFAOYSA-N
XLogP1.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.59
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methylpyrazol-4-amine;hydrochloride?
The IUPAC name of 3-(difluoromethyl)-1-methylpyrazol-4-amine;hydrochloride (CID 121215468) is 3-(difluoromethyl)-1-methylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 3-(difluoromethyl)-1-methylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 3-(difluoromethyl)-1-methylpyrazol-4-amine;hydrochloride is Cl.Cn1cc(N)c(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-1-methylpyrazol-4-amine;hydrochloride?
The InChIKey is SEZFDWWCNAXYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3.ClH/c1-10-2-3(8)4(9-10)5(6)7;/h2,5H,8H2,1H3;1H.
What are the key properties of 3-(difluoromethyl)-1-methylpyrazol-4-amine;hydrochloride?
3-(difluoromethyl)-1-methylpyrazol-4-amine;hydrochloride has a molecular weight of 183.59 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 121215468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).