[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine

C7H10F3N3 — CID 67246042

IUPAC[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine
SMILESCc1c(CN)cnn1CC(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-5-6(2-11)3-12-13(5)4-7(8,9)10/h3H,2,4,11H2,1H3
InChIKeyNGSNCXBHBQNOKI-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.21
Rot. Bonds2

About [5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine

[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine (PubChem CID 67246042) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is [5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine
PubChem CID67246042
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine
SMILESCc1c(CN)cnn1CC(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-5-6(2-11)3-12-13(5)4-7(8,9)10/h3H,2,4,11H2,1H3
InChIKeyNGSNCXBHBQNOKI-UHFFFAOYSA-N
XLogP1.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine?
The IUPAC name of [5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine (CID 67246042) is [5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine is Cc1c(CN)cnn1CC(F)(F)F.
What is the InChIKey of [5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine?
The InChIKey is NGSNCXBHBQNOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-5-6(2-11)3-12-13(5)4-7(8,9)10/h3H,2,4,11H2,1H3.
What are the key properties of [5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine?
[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine has a molecular weight of 193.17 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 67246042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).