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

C6H10ClF2N3 — CID 132586028

IUPAC5-(difluoromethyl)-1,3-dimethylpyrazol-4-amine;hydrochloride
SMILESCc1nn(C)c(C(F)F)c1N.Cl
InChIInChI=1S/C6H9F2N3.ClH/c1-3-4(9)5(6(7)8)11(2)10-3;/h6H,9H2,1-2H3;1H
InChIKeyMRLNETWTWGLIRI-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.67
Rot. Bonds1

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

5-(difluoromethyl)-1,3-dimethylpyrazol-4-amine;hydrochloride (PubChem CID 132586028) has the molecular formula C6H10ClF2N3 and a molecular weight of 197.62 g/mol. Its IUPAC name is 5-(difluoromethyl)-1,3-dimethylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name5-(difluoromethyl)-1,3-dimethylpyrazol-4-amine;hydrochloride
PubChem CID132586028
Molecular FormulaC6H10ClF2N3
Molecular Weight197.62 g/mol
Exact Mass197.05
IUPAC Name5-(difluoromethyl)-1,3-dimethylpyrazol-4-amine;hydrochloride
SMILESCc1nn(C)c(C(F)F)c1N.Cl
InChIInChI=1S/C6H9F2N3.ClH/c1-3-4(9)5(6(7)8)11(2)10-3;/h6H,9H2,1-2H3;1H
InChIKeyMRLNETWTWGLIRI-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

3-(difluoromethyl)-1,5-dimethylpyrazol-4-amine;hydrochloride
CID 132586025
5-(difluoromethyl)-1-methyltriazol-4-amine
CID 130649173
1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine
CID 86207981
4-fluoro-1,3-dimethyl-5-propan-2-ylpyrazole
CID 142366546
2,2-difluoroethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66125010
5-ethynyl-1,3-dimethylpyrazol-4-amine
CID 45079261
1-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]ethanol
CID 70039716
5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554540
5-N-(3,3-dimethylbutan-2-yl)-1,3-dimethylpyrazole-4,5-diamine
CID 104827479
5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine
CID 84731228
1,3-dimethyl-5-piperidin-1-ylpyrazol-4-amine
CID 43553940
5-(azocan-1-yl)-1,3-dimethylpyrazol-4-amine
CID 43554002

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1,3-dimethylpyrazol-4-amine;hydrochloride?
The IUPAC name of 5-(difluoromethyl)-1,3-dimethylpyrazol-4-amine;hydrochloride (CID 132586028) is 5-(difluoromethyl)-1,3-dimethylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 5-(difluoromethyl)-1,3-dimethylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 5-(difluoromethyl)-1,3-dimethylpyrazol-4-amine;hydrochloride is Cc1nn(C)c(C(F)F)c1N.Cl.
What is the InChIKey of 5-(difluoromethyl)-1,3-dimethylpyrazol-4-amine;hydrochloride?
The InChIKey is MRLNETWTWGLIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3.ClH/c1-3-4(9)5(6(7)8)11(2)10-3;/h6H,9H2,1-2H3;1H.
What are the key properties of 5-(difluoromethyl)-1,3-dimethylpyrazol-4-amine;hydrochloride?
5-(difluoromethyl)-1,3-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 5-(difluoromethyl)-1,3-dimethylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 132586028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).