4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole

C10H13F2N5 — CID 167278856

IUPAC4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole
SMILESCc1nn(C)nc1Cc1cnn(CC(F)F)c1
InChIInChI=1S/C10H13F2N5/c1-7-9(15-16(2)14-7)3-8-4-13-17(5-8)6-10(11)12/h4-5,10H,3,6H2,1-2H3
InChIKeyFOJBWCCWKUWRAD-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.18
Rot. Bonds4

About 4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole

4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole (PubChem CID 167278856) has the molecular formula C10H13F2N5 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole.

Molecular Properties

Compound Name4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole
PubChem CID167278856
Molecular FormulaC10H13F2N5
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole
SMILESCc1nn(C)nc1Cc1cnn(CC(F)F)c1
InChIInChI=1S/C10H13F2N5/c1-7-9(15-16(2)14-7)3-8-4-13-17(5-8)6-10(11)12/h4-5,10H,3,6H2,1-2H3
InChIKeyFOJBWCCWKUWRAD-UHFFFAOYSA-N
XLogP1.18
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole?
The IUPAC name of 4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole (CID 167278856) is 4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole.
What is the SMILES notation for 4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole?
The canonical SMILES for 4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole is Cc1nn(C)nc1Cc1cnn(CC(F)F)c1.
What is the InChIKey of 4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole?
The InChIKey is FOJBWCCWKUWRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5/c1-7-9(15-16(2)14-7)3-8-4-13-17(5-8)6-10(11)12/h4-5,10H,3,6H2,1-2H3.
What are the key properties of 4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole?
4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole has a molecular weight of 241.25 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole is sourced from PubChem (CID 167278856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).