3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

C11H14F3N5 — CID 131933703

IUPAC3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCc1nc(-c2cnn(C(C)C)c2)n(CC(F)(F)F)n1
InChIInChI=1S/C11H14F3N5/c1-7(2)18-5-9(4-15-18)10-16-8(3)17-19(10)6-11(12,13)14/h4-5,7H,6H2,1-3H3
InChIKeyWCZNSVMQLPDJPW-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.59
Rot. Bonds3

About 3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (PubChem CID 131933703) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is 3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
PubChem CID131933703
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Name3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCc1nc(-c2cnn(C(C)C)c2)n(CC(F)(F)F)n1
InChIInChI=1S/C11H14F3N5/c1-7(2)18-5-9(4-15-18)10-16-8(3)17-19(10)6-11(12,13)14/h4-5,7H,6H2,1-3H3
InChIKeyWCZNSVMQLPDJPW-UHFFFAOYSA-N
XLogP2.59
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The IUPAC name of 3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (CID 131933703) is 3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The canonical SMILES for 3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is Cc1nc(-c2cnn(C(C)C)c2)n(CC(F)(F)F)n1.
What is the InChIKey of 3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The InChIKey is WCZNSVMQLPDJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c1-7(2)18-5-9(4-15-18)10-16-8(3)17-19(10)6-11(12,13)14/h4-5,7H,6H2,1-3H3.
What are the key properties of 3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole has a molecular weight of 273.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 131933703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).