5-[1-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1H-pyrazol-3-amine

C17H15F3N4 — CID 118100615

IUPAC5-[1-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1H-pyrazol-3-amine
SMILESCC(c1cccc(-c2ccc(C(F)(F)F)nc2)c1)c1cc(N)n[nH]1
InChIInChI=1S/C17H15F3N4/c1-10(14-8-16(21)24-23-14)11-3-2-4-12(7-11)13-5-6-15(22-9-13)17(18,19)20/h2-10H,1H3,(H3,21,23,24)
InChIKeyZXQSYOHAXKGSQN-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.22
Rot. Bonds3

About 5-[1-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1H-pyrazol-3-amine

5-[1-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1H-pyrazol-3-amine (PubChem CID 118100615) has the molecular formula C17H15F3N4 and a molecular weight of 332.33 g/mol. Its IUPAC name is 5-[1-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[1-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1H-pyrazol-3-amine
PubChem CID118100615
Molecular FormulaC17H15F3N4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name5-[1-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1H-pyrazol-3-amine
SMILESCC(c1cccc(-c2ccc(C(F)(F)F)nc2)c1)c1cc(N)n[nH]1
InChIInChI=1S/C17H15F3N4/c1-10(14-8-16(21)24-23-14)11-3-2-4-12(7-11)13-5-6-15(22-9-13)17(18,19)20/h2-10H,1H3,(H3,21,23,24)
InChIKeyZXQSYOHAXKGSQN-UHFFFAOYSA-N
XLogP4.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[1-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1H-pyrazol-3-amine (CID 118100615) is 5-[1-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[1-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[1-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1H-pyrazol-3-amine is CC(c1cccc(-c2ccc(C(F)(F)F)nc2)c1)c1cc(N)n[nH]1.
What is the InChIKey of 5-[1-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1H-pyrazol-3-amine?
The InChIKey is ZXQSYOHAXKGSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4/c1-10(14-8-16(21)24-23-14)11-3-2-4-12(7-11)13-5-6-15(22-9-13)17(18,19)20/h2-10H,1H3,(H3,21,23,24).
What are the key properties of 5-[1-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1H-pyrazol-3-amine?
5-[1-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1H-pyrazol-3-amine has a molecular weight of 332.33 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 118100615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).