[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methanamine

C11H10F3N3 — CID 146194560

IUPAC[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methanamine
SMILESNCc1cnn(Cc2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C11H10F3N3/c12-9-1-7(2-10(13)11(9)14)5-17-6-8(3-15)4-16-17/h1-2,4,6H,3,5,15H2
InChIKeyKSQUCHBSAABZRX-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.81
Rot. Bonds3

About [1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methanamine

[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methanamine (PubChem CID 146194560) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is [1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methanamine
PubChem CID146194560
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methanamine
SMILESNCc1cnn(Cc2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C11H10F3N3/c12-9-1-7(2-10(13)11(9)14)5-17-6-8(3-15)4-16-17/h1-2,4,6H,3,5,15H2
InChIKeyKSQUCHBSAABZRX-UHFFFAOYSA-N
XLogP1.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methanamine?
The IUPAC name of [1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methanamine (CID 146194560) is [1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methanamine is NCc1cnn(Cc2cc(F)c(F)c(F)c2)c1.
What is the InChIKey of [1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methanamine?
The InChIKey is KSQUCHBSAABZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-9-1-7(2-10(13)11(9)14)5-17-6-8(3-15)4-16-17/h1-2,4,6H,3,5,15H2.
What are the key properties of [1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methanamine?
[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methanamine has a molecular weight of 241.22 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 146194560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).