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

C16H13F4N3 — CID 133180308

IUPAC3-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(c2ccc(C(F)(F)F)cc2)C(c2ccc(F)cc2)C1
InChIInChI=1S/C16H13F4N3/c17-12-5-1-10(2-6-12)14-9-15(21)22-23(14)13-7-3-11(4-8-13)16(18,19)20/h1-8,14H,9H2,(H2,21,22)
InChIKeyBQYDTSDJQOGKBB-UHFFFAOYSA-N
MW323.29 g/mol
LogP4.07
Rot. Bonds2

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

3-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine (PubChem CID 133180308) has the molecular formula C16H13F4N3 and a molecular weight of 323.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine
PubChem CID133180308
Molecular FormulaC16H13F4N3
Molecular Weight323.29 g/mol
Exact Mass323.10
IUPAC Name3-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(c2ccc(C(F)(F)F)cc2)C(c2ccc(F)cc2)C1
InChIInChI=1S/C16H13F4N3/c17-12-5-1-10(2-6-12)14-9-15(21)22-23(14)13-7-3-11(4-8-13)16(18,19)20/h1-8,14H,9H2,(H2,21,22)
InChIKeyBQYDTSDJQOGKBB-UHFFFAOYSA-N
XLogP4.07
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine?
The IUPAC name of 3-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine (CID 133180308) is 3-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 3-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine is NC1=NN(c2ccc(C(F)(F)F)cc2)C(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine?
The InChIKey is BQYDTSDJQOGKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N3/c17-12-5-1-10(2-6-12)14-9-15(21)22-23(14)13-7-3-11(4-8-13)16(18,19)20/h1-8,14H,9H2,(H2,21,22).
What are the key properties of 3-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine?
3-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine has a molecular weight of 323.29 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 133180308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).