1-(1-methylimidazol-4-yl)-3-(trifluoromethyl)-5-undecan-5-ylpyrazole

C19H29F3N4 — CID 134331685

IUPAC1-(1-methylimidazol-4-yl)-3-(trifluoromethyl)-5-undecan-5-ylpyrazole
SMILESCCCCCCC(CCCC)c1cc(C(F)(F)F)nn1-c1cn(C)cn1
InChIInChI=1S/C19H29F3N4/c1-4-6-8-9-11-15(10-7-5-2)16-12-17(19(20,21)22)24-26(16)18-13-25(3)14-23-18/h12-15H,4-11H2,1-3H3
InChIKeyAWVDMDOJECOJAN-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.87
Rot. Bonds10

About 1-(1-methylimidazol-4-yl)-3-(trifluoromethyl)-5-undecan-5-ylpyrazole

1-(1-methylimidazol-4-yl)-3-(trifluoromethyl)-5-undecan-5-ylpyrazole (PubChem CID 134331685) has the molecular formula C19H29F3N4 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)-3-(trifluoromethyl)-5-undecan-5-ylpyrazole.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)-3-(trifluoromethyl)-5-undecan-5-ylpyrazole
PubChem CID134331685
Molecular FormulaC19H29F3N4
Molecular Weight370.46 g/mol
Exact Mass370.23
IUPAC Name1-(1-methylimidazol-4-yl)-3-(trifluoromethyl)-5-undecan-5-ylpyrazole
SMILESCCCCCCC(CCCC)c1cc(C(F)(F)F)nn1-c1cn(C)cn1
InChIInChI=1S/C19H29F3N4/c1-4-6-8-9-11-15(10-7-5-2)16-12-17(19(20,21)22)24-26(16)18-13-25(3)14-23-18/h12-15H,4-11H2,1-3H3
InChIKeyAWVDMDOJECOJAN-UHFFFAOYSA-N
XLogP5.87
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)-3-(trifluoromethyl)-5-undecan-5-ylpyrazole?
The IUPAC name of 1-(1-methylimidazol-4-yl)-3-(trifluoromethyl)-5-undecan-5-ylpyrazole (CID 134331685) is 1-(1-methylimidazol-4-yl)-3-(trifluoromethyl)-5-undecan-5-ylpyrazole.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)-3-(trifluoromethyl)-5-undecan-5-ylpyrazole?
The canonical SMILES for 1-(1-methylimidazol-4-yl)-3-(trifluoromethyl)-5-undecan-5-ylpyrazole is CCCCCCC(CCCC)c1cc(C(F)(F)F)nn1-c1cn(C)cn1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)-3-(trifluoromethyl)-5-undecan-5-ylpyrazole?
The InChIKey is AWVDMDOJECOJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3N4/c1-4-6-8-9-11-15(10-7-5-2)16-12-17(19(20,21)22)24-26(16)18-13-25(3)14-23-18/h12-15H,4-11H2,1-3H3.
What are the key properties of 1-(1-methylimidazol-4-yl)-3-(trifluoromethyl)-5-undecan-5-ylpyrazole?
1-(1-methylimidazol-4-yl)-3-(trifluoromethyl)-5-undecan-5-ylpyrazole has a molecular weight of 370.46 g/mol, XLogP of 5.87, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)-3-(trifluoromethyl)-5-undecan-5-ylpyrazole is sourced from PubChem (CID 134331685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).