1,3-dimethyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazole

C11H13F3N4 — CID 167387769

IUPAC1,3-dimethyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazole
SMILESCc1nn(C)cc1Cc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C11H13F3N4/c1-8-10(6-17(2)16-8)3-9-4-15-18(5-9)7-11(12,13)14/h4-6H,3,7H2,1-2H3
InChIKeyNKZVTCSEWVTUJT-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.08
Rot. Bonds3

About 1,3-dimethyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazole

1,3-dimethyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazole (PubChem CID 167387769) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 1,3-dimethyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazole.

Molecular Properties

Compound Name1,3-dimethyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazole
PubChem CID167387769
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name1,3-dimethyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazole
SMILESCc1nn(C)cc1Cc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C11H13F3N4/c1-8-10(6-17(2)16-8)3-9-4-15-18(5-9)7-11(12,13)14/h4-6H,3,7H2,1-2H3
InChIKeyNKZVTCSEWVTUJT-UHFFFAOYSA-N
XLogP2.08
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazole?
The IUPAC name of 1,3-dimethyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazole (CID 167387769) is 1,3-dimethyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazole.
What is the SMILES notation for 1,3-dimethyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazole?
The canonical SMILES for 1,3-dimethyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazole is Cc1nn(C)cc1Cc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 1,3-dimethyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazole?
The InChIKey is NKZVTCSEWVTUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c1-8-10(6-17(2)16-8)3-9-4-15-18(5-9)7-11(12,13)14/h4-6H,3,7H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazole?
1,3-dimethyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazole has a molecular weight of 258.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazole is sourced from PubChem (CID 167387769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).