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

C18H16F3N3 — CID 118100577

IUPAC5-[1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1H-pyrazol-3-amine
SMILESCC(c1cccc(-c2ccc(C(F)(F)F)cc2)c1)c1cc(N)n[nH]1
InChIInChI=1S/C18H16F3N3/c1-11(16-10-17(22)24-23-16)13-3-2-4-14(9-13)12-5-7-15(8-6-12)18(19,20)21/h2-11H,1H3,(H3,22,23,24)
InChIKeyXPTFCHJPSQRRJM-UHFFFAOYSA-N
MW331.34 g/mol
LogP4.83
Rot. Bonds3

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

5-[1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1H-pyrazol-3-amine (PubChem CID 118100577) has the molecular formula C18H16F3N3 and a molecular weight of 331.34 g/mol. Its IUPAC name is 5-[1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1H-pyrazol-3-amine
PubChem CID118100577
Molecular FormulaC18H16F3N3
Molecular Weight331.34 g/mol
Exact Mass331.13
IUPAC Name5-[1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1H-pyrazol-3-amine
SMILESCC(c1cccc(-c2ccc(C(F)(F)F)cc2)c1)c1cc(N)n[nH]1
InChIInChI=1S/C18H16F3N3/c1-11(16-10-17(22)24-23-16)13-3-2-4-14(9-13)12-5-7-15(8-6-12)18(19,20)21/h2-11H,1H3,(H3,22,23,24)
InChIKeyXPTFCHJPSQRRJM-UHFFFAOYSA-N
XLogP4.83
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1H-pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1H-pyrazol-3-amine (CID 118100577) is 5-[1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1H-pyrazol-3-amine is CC(c1cccc(-c2ccc(C(F)(F)F)cc2)c1)c1cc(N)n[nH]1.
What is the InChIKey of 5-[1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1H-pyrazol-3-amine?
The InChIKey is XPTFCHJPSQRRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3/c1-11(16-10-17(22)24-23-16)13-3-2-4-14(9-13)12-5-7-15(8-6-12)18(19,20)21/h2-11H,1H3,(H3,22,23,24).
What are the key properties of 5-[1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1H-pyrazol-3-amine?
5-[1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1H-pyrazol-3-amine has a molecular weight of 331.34 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 118100577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).