[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine

C11H10F3N3 — CID 68516763

IUPAC[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine
SMILESNCc1cnn(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)9-1-3-10(4-2-9)17-7-8(5-15)6-16-17/h1-4,6-7H,5,15H2
InChIKeyBTQRSJDYCVDDOH-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.35
Rot. Bonds2

About [1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine

[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine (PubChem CID 68516763) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is [1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine
PubChem CID68516763
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine
SMILESNCc1cnn(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)9-1-3-10(4-2-9)17-7-8(5-15)6-16-17/h1-4,6-7H,5,15H2
InChIKeyBTQRSJDYCVDDOH-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 [1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine?
The IUPAC name of [1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine (CID 68516763) is [1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine is NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of [1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine?
The InChIKey is BTQRSJDYCVDDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-11(13,14)9-1-3-10(4-2-9)17-7-8(5-15)6-16-17/h1-4,6-7H,5,15H2.
What are the key properties of [1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine?
[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]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 [1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 68516763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).