2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine;hydrochloride

C10H11ClF3N3 — CID 3018746

IUPAC2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine;hydrochloride
SMILESCl.NC1=NN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C10H10F3N3.ClH/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16;/h1-3,6H,4-5H2,(H2,14,15);1H
InChIKeyZHIVNGPRIADXRQ-UHFFFAOYSA-N
MW265.67 g/mol
LogP2.61
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine;hydrochloride

2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine;hydrochloride (PubChem CID 3018746) has the molecular formula C10H11ClF3N3 and a molecular weight of 265.67 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine;hydrochloride
PubChem CID3018746
Molecular FormulaC10H11ClF3N3
Molecular Weight265.67 g/mol
Exact Mass265.06
IUPAC Name2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine;hydrochloride
SMILESCl.NC1=NN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C10H10F3N3.ClH/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16;/h1-3,6H,4-5H2,(H2,14,15);1H
InChIKeyZHIVNGPRIADXRQ-UHFFFAOYSA-N
XLogP2.61
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine;hydrochloride?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine;hydrochloride (CID 3018746) is 2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine;hydrochloride.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine;hydrochloride?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine;hydrochloride is Cl.NC1=NN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine;hydrochloride?
The InChIKey is ZHIVNGPRIADXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3.ClH/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16;/h1-3,6H,4-5H2,(H2,14,15);1H.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine;hydrochloride?
2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine;hydrochloride has a molecular weight of 265.67 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine;hydrochloride is sourced from PubChem (CID 3018746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).