3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine

C16H12F3N3 — CID 18475803

IUPAC3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3/c17-16(18,19)12-6-8-13(9-7-12)22-15(20)10-14(21-22)11-4-2-1-3-5-11/h1-10H,20H2
InChIKeyLNUWDNOEJVAADB-UHFFFAOYSA-N
MW303.29 g/mol
LogP4.14
Rot. Bonds2

About 3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine

3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine (PubChem CID 18475803) has the molecular formula C16H12F3N3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine
PubChem CID18475803
Molecular FormulaC16H12F3N3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3/c17-16(18,19)12-6-8-13(9-7-12)22-15(20)10-14(21-22)11-4-2-1-3-5-11/h1-10H,20H2
InChIKeyLNUWDNOEJVAADB-UHFFFAOYSA-N
XLogP4.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Amino-3-methyl-1-phenylpyrazole
CID 70801
Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
1,4-diphenyl-1H-pyrazol-5-amine
CID 4669245
2-Phenyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine
CID 7130757
5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
CID 81585
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
3-tert-butyl-1-phenyl-1H-pyrazol-5-amine
CID 770634
1-Methyl-3-phenyl-1H-pyrazol-5-amine
CID 517779
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
The IUPAC name of 3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine (CID 18475803) is 3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
The canonical SMILES for 3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine is Nc1cc(-c2ccccc2)nn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
The InChIKey is LNUWDNOEJVAADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3/c17-16(18,19)12-6-8-13(9-7-12)22-15(20)10-14(21-22)11-4-2-1-3-5-11/h1-10H,20H2.
What are the key properties of 3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine has a molecular weight of 303.29 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 18475803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).