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

C16H12F3N3 — CID 4593193

IUPAC1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESNc1c(-c2cccc(C(F)(F)F)c2)cnn1-c1ccccc1
InChIInChI=1S/C16H12F3N3/c17-16(18,19)12-6-4-5-11(9-12)14-10-21-22(15(14)20)13-7-2-1-3-8-13/h1-10H,20H2
InChIKeyGHVKRXZMWKJQDK-UHFFFAOYSA-N
MW303.29 g/mol
LogP4.14
Rot. Bonds2

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

1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (PubChem CID 4593193) has the molecular formula C16H12F3N3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
PubChem CID4593193
Molecular FormulaC16H12F3N3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESNc1c(-c2cccc(C(F)(F)F)c2)cnn1-c1ccccc1
InChIInChI=1S/C16H12F3N3/c17-16(18,19)12-6-4-5-11(9-12)14-10-21-22(15(14)20)13-7-2-1-3-8-13/h1-10H,20H2
InChIKeyGHVKRXZMWKJQDK-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

1-(3-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 3746802
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylpyrazol-5-amine
CID 103596010
1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 71287829
4-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 2806178
4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 115069398
4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-5-amine
CID 767167
5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
CID 117127400
3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103260
1-phenyl-5-(trifluoromethyl)pyrazol-4-amine
CID 42609359
4-(5-amino-4-phenylpyrazol-1-yl)benzoate
CID 6979898
[2-[3-(trifluoromethyl)phenyl]phenyl]phosphane
CID 175247620
1-[3-(trifluoromethyl)phenyl]indazole
CID 21044942

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The IUPAC name of 1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (CID 4593193) is 1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The canonical SMILES for 1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is Nc1c(-c2cccc(C(F)(F)F)c2)cnn1-c1ccccc1.
What is the InChIKey of 1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The InChIKey is GHVKRXZMWKJQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3/c17-16(18,19)12-6-4-5-11(9-12)14-10-21-22(15(14)20)13-7-2-1-3-8-13/h1-10H,20H2.
What are the key properties of 1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
1-phenyl-4-[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 1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 4593193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).