4-cyclopropyl-1-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolidin-3-yl]triazole

C15H19F3N6 — CID 146139048

IUPAC4-cyclopropyl-1-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolidin-3-yl]triazole
SMILESCn1nc(C(F)(F)F)cc1CN1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C15H19F3N6/c1-22-12(6-14(20-22)15(16,17)18)8-23-5-4-11(7-23)24-9-13(19-21-24)10-2-3-10/h6,9-11H,2-5,7-8H2,1H3
InChIKeyQJSNYSNWUNRUSY-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.35
Rot. Bonds4

About 4-cyclopropyl-1-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolidin-3-yl]triazole

4-cyclopropyl-1-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolidin-3-yl]triazole (PubChem CID 146139048) has the molecular formula C15H19F3N6 and a molecular weight of 340.35 g/mol. Its IUPAC name is 4-cyclopropyl-1-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolidin-3-yl]triazole.

Molecular Properties

Compound Name4-cyclopropyl-1-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolidin-3-yl]triazole
PubChem CID146139048
Molecular FormulaC15H19F3N6
Molecular Weight340.35 g/mol
Exact Mass340.16
IUPAC Name4-cyclopropyl-1-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolidin-3-yl]triazole
SMILESCn1nc(C(F)(F)F)cc1CN1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C15H19F3N6/c1-22-12(6-14(20-22)15(16,17)18)8-23-5-4-11(7-23)24-9-13(19-21-24)10-2-3-10/h6,9-11H,2-5,7-8H2,1H3
InChIKeyQJSNYSNWUNRUSY-UHFFFAOYSA-N
XLogP2.35
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 146139036
4-cyclopropyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]triazole
CID 138025120
4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole
CID 121190734
4-(4-cyclopropyltriazol-1-yl)-1-(2-methylbutyl)piperidine
CID 46993628
1-(1-cyclopentylpyrrolidin-3-yl)-4-cyclopropyltriazole
CID 121184481
1-(1-cyclohexylpyrrolidin-3-yl)-4-cyclopropyltriazole
CID 121184482
4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine
CID 31125414
3-(4-cyclopropyltriazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 121190700
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 121190795
4-[(3S,4S)-4-methoxy-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolidin-3-yl]-2H-triazole
CID 146138906
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one
CID 121189855

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolidin-3-yl]triazole?
The IUPAC name of 4-cyclopropyl-1-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolidin-3-yl]triazole (CID 146139048) is 4-cyclopropyl-1-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolidin-3-yl]triazole.
What is the SMILES notation for 4-cyclopropyl-1-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolidin-3-yl]triazole?
The canonical SMILES for 4-cyclopropyl-1-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolidin-3-yl]triazole is Cn1nc(C(F)(F)F)cc1CN1CCC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of 4-cyclopropyl-1-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolidin-3-yl]triazole?
The InChIKey is QJSNYSNWUNRUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6/c1-22-12(6-14(20-22)15(16,17)18)8-23-5-4-11(7-23)24-9-13(19-21-24)10-2-3-10/h6,9-11H,2-5,7-8H2,1H3.
What are the key properties of 4-cyclopropyl-1-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolidin-3-yl]triazole?
4-cyclopropyl-1-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolidin-3-yl]triazole has a molecular weight of 340.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolidin-3-yl]triazole is sourced from PubChem (CID 146139048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).