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

C16H12F3N3 — CID 4315883

IUPAC4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESNc1c(-c2ccccc2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3N3/c17-16(18,19)12-7-4-8-13(9-12)22-15(20)14(10-21-22)11-5-2-1-3-6-11/h1-10H,20H2
InChIKeyYLTSPFWGOFPTFJ-UHFFFAOYSA-N
MW303.29 g/mol
LogP4.14
Rot. Bonds2

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

4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (PubChem CID 4315883) has the molecular formula C16H12F3N3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
PubChem CID4315883
Molecular FormulaC16H12F3N3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESNc1c(-c2ccccc2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3N3/c17-16(18,19)12-7-4-8-13(9-12)22-15(20)14(10-21-22)11-5-2-1-3-6-11/h1-10H,20H2
InChIKeyYLTSPFWGOFPTFJ-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

3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile
CID 688685
1-(3-chlorophenyl)-4-phenyl-1H-pyrazol-5-ylamine
CID 3717260
1,4-diphenyl-1H-pyrazol-5-amine
CID 4669245
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
5-Amino-1-(p-tolyl)pyrazole-4-carbonitrile
CID 2800424
5-Amino-1-(3-methylphenyl)-1H-pyrazole-4-carbonitrile
CID 660367
4-(4-chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2743446
4-(3-methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2764841
4-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2764845

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The IUPAC name of 4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (CID 4315883) is 4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The canonical SMILES for 4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is Nc1c(-c2ccccc2)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The InChIKey is YLTSPFWGOFPTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3/c17-16(18,19)12-7-4-8-13(9-12)22-15(20)14(10-21-22)11-5-2-1-3-6-11/h1-10H,20H2.
What are the key properties of 4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
4-phenyl-1-[3-(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 4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 4315883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).