[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine

C8H10F3N3 — CID 70856313

IUPAC[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESNCc1cn(C2CC2)nc1C(F)(F)F
InChIInChI=1S/C8H10F3N3/c9-8(10,11)7-5(3-12)4-14(13-7)6-1-2-6/h4,6H,1-3,12H2
InChIKeyNKBDDFDZJQVBBI-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.70
Rot. Bonds2

About [1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine

[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine (PubChem CID 70856313) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is [1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
PubChem CID70856313
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESNCc1cn(C2CC2)nc1C(F)(F)F
InChIInChI=1S/C8H10F3N3/c9-8(10,11)7-5(3-12)4-14(13-7)6-1-2-6/h4,6H,1-3,12H2
InChIKeyNKBDDFDZJQVBBI-UHFFFAOYSA-N
XLogP1.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine (CID 70856313) is [1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine is NCc1cn(C2CC2)nc1C(F)(F)F.
What is the InChIKey of [1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine?
The InChIKey is NKBDDFDZJQVBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c9-8(10,11)7-5(3-12)4-14(13-7)6-1-2-6/h4,6H,1-3,12H2.
What are the key properties of [1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine?
[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine has a molecular weight of 205.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 70856313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).