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

C4H5ClF3N3 — CID 86346391

IUPAC4-(trifluoromethyl)-1H-pyrazol-5-amine;hydrochloride
SMILESCl.Nc1[nH]ncc1C(F)(F)F
InChIInChI=1S/C4H4F3N3.ClH/c5-4(6,7)2-1-9-10-3(2)8;/h1H,(H3,8,9,10);1H
InChIKeyOZGOPRSPFWESIZ-UHFFFAOYSA-N
MW187.55 g/mol
LogP1.43
Rot. Bonds

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

4-(trifluoromethyl)-1H-pyrazol-5-amine;hydrochloride (PubChem CID 86346391) has the molecular formula C4H5ClF3N3 and a molecular weight of 187.55 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1H-pyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name4-(trifluoromethyl)-1H-pyrazol-5-amine;hydrochloride
PubChem CID86346391
Molecular FormulaC4H5ClF3N3
Molecular Weight187.55 g/mol
Exact Mass187.01
IUPAC Name4-(trifluoromethyl)-1H-pyrazol-5-amine;hydrochloride
SMILESCl.Nc1[nH]ncc1C(F)(F)F
InChIInChI=1S/C4H4F3N3.ClH/c5-4(6,7)2-1-9-10-3(2)8;/h1H,(H3,8,9,10);1H
InChIKeyOZGOPRSPFWESIZ-UHFFFAOYSA-N
XLogP1.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.55
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(trifluoromethyl)-1H-pyrazol-5-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1H-pyrazol-5-amine;hydrochloride?
The IUPAC name of 4-(trifluoromethyl)-1H-pyrazol-5-amine;hydrochloride (CID 86346391) is 4-(trifluoromethyl)-1H-pyrazol-5-amine;hydrochloride.
What is the SMILES notation for 4-(trifluoromethyl)-1H-pyrazol-5-amine;hydrochloride?
The canonical SMILES for 4-(trifluoromethyl)-1H-pyrazol-5-amine;hydrochloride is Cl.Nc1[nH]ncc1C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)-1H-pyrazol-5-amine;hydrochloride?
The InChIKey is OZGOPRSPFWESIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3.ClH/c5-4(6,7)2-1-9-10-3(2)8;/h1H,(H3,8,9,10);1H.
What are the key properties of 4-(trifluoromethyl)-1H-pyrazol-5-amine;hydrochloride?
4-(trifluoromethyl)-1H-pyrazol-5-amine;hydrochloride has a molecular weight of 187.55 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1H-pyrazol-5-amine;hydrochloride is sourced from PubChem (CID 86346391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).