5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

C12H14F3N5 — CID 146045366

IUPAC5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCc1nc(-c2cc(C3CC3)n(C)n2)n(CC(F)(F)F)n1
InChIInChI=1S/C12H14F3N5/c1-7-16-11(20(17-7)6-12(13,14)15)9-5-10(8-3-4-8)19(2)18-9/h5,8H,3-4,6H2,1-2H3
InChIKeyLYVQUTMWUMGTNW-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.43
Rot. Bonds3

About 5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (PubChem CID 146045366) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
PubChem CID146045366
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCc1nc(-c2cc(C3CC3)n(C)n2)n(CC(F)(F)F)n1
InChIInChI=1S/C12H14F3N5/c1-7-16-11(20(17-7)6-12(13,14)15)9-5-10(8-3-4-8)19(2)18-9/h5,8H,3-4,6H2,1-2H3
InChIKeyLYVQUTMWUMGTNW-UHFFFAOYSA-N
XLogP2.43
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The IUPAC name of 5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (CID 146045366) is 5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The canonical SMILES for 5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is Cc1nc(-c2cc(C3CC3)n(C)n2)n(CC(F)(F)F)n1.
What is the InChIKey of 5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The InChIKey is LYVQUTMWUMGTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-7-16-11(20(17-7)6-12(13,14)15)9-5-10(8-3-4-8)19(2)18-9/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole has a molecular weight of 285.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 146045366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).