3-(difluoromethyl)-1,5-dimethylpyrazol-4-amine;hydrochloride

C6H10ClF2N3 — CID 132586025

IUPAC3-(difluoromethyl)-1,5-dimethylpyrazol-4-amine;hydrochloride
SMILESCc1c(N)c(C(F)F)nn1C.Cl
InChIInChI=1S/C6H9F2N3.ClH/c1-3-4(9)5(6(7)8)10-11(3)2;/h6H,9H2,1-2H3;1H
InChIKeyLBHKXVTXCVKCDI-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.67
Rot. Bonds1

About 3-(difluoromethyl)-1,5-dimethylpyrazol-4-amine;hydrochloride

3-(difluoromethyl)-1,5-dimethylpyrazol-4-amine;hydrochloride (PubChem CID 132586025) has the molecular formula C6H10ClF2N3 and a molecular weight of 197.62 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,5-dimethylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethyl)-1,5-dimethylpyrazol-4-amine;hydrochloride
PubChem CID132586025
Molecular FormulaC6H10ClF2N3
Molecular Weight197.62 g/mol
Exact Mass197.05
IUPAC Name3-(difluoromethyl)-1,5-dimethylpyrazol-4-amine;hydrochloride
SMILESCc1c(N)c(C(F)F)nn1C.Cl
InChIInChI=1S/C6H9F2N3.ClH/c1-3-4(9)5(6(7)8)10-11(3)2;/h6H,9H2,1-2H3;1H
InChIKeyLBHKXVTXCVKCDI-UHFFFAOYSA-N
XLogP1.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,5-dimethylpyrazol-4-amine;hydrochloride?
The IUPAC name of 3-(difluoromethyl)-1,5-dimethylpyrazol-4-amine;hydrochloride (CID 132586025) is 3-(difluoromethyl)-1,5-dimethylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 3-(difluoromethyl)-1,5-dimethylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 3-(difluoromethyl)-1,5-dimethylpyrazol-4-amine;hydrochloride is Cc1c(N)c(C(F)F)nn1C.Cl.
What is the InChIKey of 3-(difluoromethyl)-1,5-dimethylpyrazol-4-amine;hydrochloride?
The InChIKey is LBHKXVTXCVKCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3.ClH/c1-3-4(9)5(6(7)8)10-11(3)2;/h6H,9H2,1-2H3;1H.
What are the key properties of 3-(difluoromethyl)-1,5-dimethylpyrazol-4-amine;hydrochloride?
3-(difluoromethyl)-1,5-dimethylpyrazol-4-amine;hydrochloride has a molecular weight of 197.62 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,5-dimethylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 132586025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).