1-phenyl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride

C10H9ClF3N3 — CID 71758596

IUPAC1-phenyl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C10H8F3N3.ClH/c11-10(12,13)9-8(14)6-15-16(9)7-4-2-1-3-5-7;/h1-6H,14H2;1H
InChIKeyUFHWAGHWXXWWKQ-UHFFFAOYSA-N
MW263.65 g/mol
LogP2.90
Rot. Bonds1

About 1-phenyl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride

1-phenyl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride (PubChem CID 71758596) has the molecular formula C10H9ClF3N3 and a molecular weight of 263.65 g/mol. Its IUPAC name is 1-phenyl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-phenyl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride
PubChem CID71758596
Molecular FormulaC10H9ClF3N3
Molecular Weight263.65 g/mol
Exact Mass263.04
IUPAC Name1-phenyl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C10H8F3N3.ClH/c11-10(12,13)9-8(14)6-15-16(9)7-4-2-1-3-5-7;/h1-6H,14H2;1H
InChIKeyUFHWAGHWXXWWKQ-UHFFFAOYSA-N
XLogP2.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-phenyl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride (CID 71758596) is 1-phenyl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-phenyl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-phenyl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride is Cl.Nc1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 1-phenyl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The InChIKey is UFHWAGHWXXWWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3.ClH/c11-10(12,13)9-8(14)6-15-16(9)7-4-2-1-3-5-7;/h1-6H,14H2;1H.
What are the key properties of 1-phenyl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
1-phenyl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride has a molecular weight of 263.65 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 71758596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).