1-[[1-(1,5-dimethylpyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl]-N-methyltriazole-4-carboxamide

C15H19F2N7O2 — CID 171144326

IUPAC1-[[1-(1,5-dimethylpyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl]-N-methyltriazole-4-carboxamide
SMILESCNC(=O)c1cn(CC2CC(F)(F)CN2C(=O)c2cc(C)n(C)n2)nn1
InChIInChI=1S/C15H19F2N7O2/c1-9-4-11(20-22(9)3)14(26)24-8-15(16,17)5-10(24)6-23-7-12(19-21-23)13(25)18-2/h4,7,10H,5-6,8H2,1-3H3,(H,18,25)
InChIKeyHHGIFYMEJYWZBU-UHFFFAOYSA-N
MW367.36 g/mol
LogP0.23
Rot. Bonds4

About 1-[[1-(1,5-dimethylpyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl]-N-methyltriazole-4-carboxamide

1-[[1-(1,5-dimethylpyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl]-N-methyltriazole-4-carboxamide (PubChem CID 171144326) has the molecular formula C15H19F2N7O2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 1-[[1-(1,5-dimethylpyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl]-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[[1-(1,5-dimethylpyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl]-N-methyltriazole-4-carboxamide
PubChem CID171144326
Molecular FormulaC15H19F2N7O2
Molecular Weight367.36 g/mol
Exact Mass367.16
IUPAC Name1-[[1-(1,5-dimethylpyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl]-N-methyltriazole-4-carboxamide
SMILESCNC(=O)c1cn(CC2CC(F)(F)CN2C(=O)c2cc(C)n(C)n2)nn1
InChIInChI=1S/C15H19F2N7O2/c1-9-4-11(20-22(9)3)14(26)24-8-15(16,17)5-10(24)6-23-7-12(19-21-23)13(25)18-2/h4,7,10H,5-6,8H2,1-3H3,(H,18,25)
InChIKeyHHGIFYMEJYWZBU-UHFFFAOYSA-N
XLogP0.23
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1,5-dimethylpyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl]-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-[[1-(1,5-dimethylpyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl]-N-methyltriazole-4-carboxamide (CID 171144326) is 1-[[1-(1,5-dimethylpyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl]-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-[[1-(1,5-dimethylpyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl]-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-[[1-(1,5-dimethylpyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl]-N-methyltriazole-4-carboxamide is CNC(=O)c1cn(CC2CC(F)(F)CN2C(=O)c2cc(C)n(C)n2)nn1.
What is the InChIKey of 1-[[1-(1,5-dimethylpyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl]-N-methyltriazole-4-carboxamide?
The InChIKey is HHGIFYMEJYWZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N7O2/c1-9-4-11(20-22(9)3)14(26)24-8-15(16,17)5-10(24)6-23-7-12(19-21-23)13(25)18-2/h4,7,10H,5-6,8H2,1-3H3,(H,18,25).
What are the key properties of 1-[[1-(1,5-dimethylpyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl]-N-methyltriazole-4-carboxamide?
1-[[1-(1,5-dimethylpyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl]-N-methyltriazole-4-carboxamide has a molecular weight of 367.36 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1,5-dimethylpyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl]-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 171144326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).