4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride

C10H9ClF3N3 — CID 71778797

IUPAC4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride
SMILESCl.Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C10H8F3N3.ClH/c11-10(12,13)8-7(9(14)16-15-8)6-4-2-1-3-5-6;/h1-5H,(H3,14,15,16);1H
InChIKeyFIMVFCPHRHGIDS-UHFFFAOYSA-N
MW263.65 g/mol
LogP3.10
Rot. Bonds1

About 4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride

4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride (PubChem CID 71778797) has the molecular formula C10H9ClF3N3 and a molecular weight of 263.65 g/mol. Its IUPAC name is 4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride
PubChem CID71778797
Molecular FormulaC10H9ClF3N3
Molecular Weight263.65 g/mol
Exact Mass263.04
IUPAC Name4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride
SMILESCl.Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C10H8F3N3.ClH/c11-10(12,13)8-7(9(14)16-15-8)6-4-2-1-3-5-6;/h1-5H,(H3,14,15,16);1H
InChIKeyFIMVFCPHRHGIDS-UHFFFAOYSA-N
XLogP3.10
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride?
The IUPAC name of 4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride (CID 71778797) is 4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride?
The canonical SMILES for 4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride is Cl.Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride?
The InChIKey is FIMVFCPHRHGIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3.ClH/c11-10(12,13)8-7(9(14)16-15-8)6-4-2-1-3-5-6;/h1-5H,(H3,14,15,16);1H.
What are the key properties of 4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride?
4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride has a molecular weight of 263.65 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 71778797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).