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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Related Compounds

5-(difluoromethyl)-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 132586028
3-(difluoromethyl)-1-methylpyrazol-4-amine;hydrochloride
CID 121215468
1-(1,4,5-trimethylpyrazol-3-yl)ethanamine
CID 82595274
1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018774
3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride
CID 71757567
ethyl 3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxylate
CID 56926832
5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine
CID 84731228
1,5-dimethyl-3-piperidin-1-ylpyrazol-4-amine
CID 50896531
3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine
CID 130573982
3-(difluoromethyl)-1-methylindazole
CID 153487584
ethyl 5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carboxylate
CID 56926831
3-(difluoromethyl)-4-methylpyrazol-1-amine
CID 178089275

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).