[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine

C11H10F3N3 — CID 63941712

IUPAC[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
SMILESNCc1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)10-4-5-17(16-10)9-3-1-2-8(6-9)7-15/h1-6H,7,15H2
InChIKeyKOBBHNJIQFDDHJ-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.35
Rot. Bonds2

About [3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine

[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine (PubChem CID 63941712) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is [3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
PubChem CID63941712
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
SMILESNCc1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)10-4-5-17(16-10)9-3-1-2-8(6-9)7-15/h1-6H,7,15H2
InChIKeyKOBBHNJIQFDDHJ-UHFFFAOYSA-N
XLogP2.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine?
The IUPAC name of [3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine (CID 63941712) is [3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine.
What is the SMILES notation for [3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine?
The canonical SMILES for [3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine is NCc1cccc(-n2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of [3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine?
The InChIKey is KOBBHNJIQFDDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-11(13,14)10-4-5-17(16-10)9-3-1-2-8(6-9)7-15/h1-6H,7,15H2.
What are the key properties of [3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine?
[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine has a molecular weight of 241.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine is sourced from PubChem (CID 63941712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).