1-methyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride

C5H7ClF3N3 — CID 90482949

IUPAC1-methyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride
SMILESCl.Cn1nc(N)cc1C(F)(F)F
InChIInChI=1S/C5H6F3N3.ClH/c1-11-3(5(6,7)8)2-4(9)10-11;/h2H,1H3,(H2,9,10);1H
InChIKeyPBFLHANLZGUFOV-UHFFFAOYSA-N
MW201.58 g/mol
LogP1.44
Rot. Bonds

About 1-methyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride

1-methyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride (PubChem CID 90482949) has the molecular formula C5H7ClF3N3 and a molecular weight of 201.58 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride
PubChem CID90482949
Molecular FormulaC5H7ClF3N3
Molecular Weight201.58 g/mol
Exact Mass201.03
IUPAC Name1-methyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride
SMILESCl.Cn1nc(N)cc1C(F)(F)F
InChIInChI=1S/C5H6F3N3.ClH/c1-11-3(5(6,7)8)2-4(9)10-11;/h2H,1H3,(H2,9,10);1H
InChIKeyPBFLHANLZGUFOV-UHFFFAOYSA-N
XLogP1.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.58
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride?
The IUPAC name of 1-methyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride (CID 90482949) is 1-methyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 1-methyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride?
The canonical SMILES for 1-methyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride is Cl.Cn1nc(N)cc1C(F)(F)F.
What is the InChIKey of 1-methyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride?
The InChIKey is PBFLHANLZGUFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3.ClH/c1-11-3(5(6,7)8)2-4(9)10-11;/h2H,1H3,(H2,9,10);1H.
What are the key properties of 1-methyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride?
1-methyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride has a molecular weight of 201.58 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethyl)pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 90482949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).