5-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-N-methylpyrazolidine-3-carboxamide

C15H19F2N3O — CID 75264161

IUPAC5-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-N-methylpyrazolidine-3-carboxamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)C1CC(C2CC2)NN1
InChIInChI=1S/C15H19F2N3O/c1-20(8-9-2-5-11(16)12(17)6-9)15(21)14-7-13(18-19-14)10-3-4-10/h2,5-6,10,13-14,18-19H,3-4,7-8H2,1H3
InChIKeyVTKJVSCWSKDQJB-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.57
Rot. Bonds4

About 5-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-N-methylpyrazolidine-3-carboxamide

5-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-N-methylpyrazolidine-3-carboxamide (PubChem CID 75264161) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-N-methylpyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-N-methylpyrazolidine-3-carboxamide
PubChem CID75264161
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name5-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-N-methylpyrazolidine-3-carboxamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)C1CC(C2CC2)NN1
InChIInChI=1S/C15H19F2N3O/c1-20(8-9-2-5-11(16)12(17)6-9)15(21)14-7-13(18-19-14)10-3-4-10/h2,5-6,10,13-14,18-19H,3-4,7-8H2,1H3
InChIKeyVTKJVSCWSKDQJB-UHFFFAOYSA-N
XLogP1.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717254
N-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide
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4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512301
5-[(3,4-difluorophenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
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2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 60948624
N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide
CID 78419071
1-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylformamide
CID 115172325
3-[(3,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231927
N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139161
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82909471
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 61215363
N-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826789

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-N-methylpyrazolidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-N-methylpyrazolidine-3-carboxamide (CID 75264161) is 5-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-N-methylpyrazolidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-N-methylpyrazolidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-N-methylpyrazolidine-3-carboxamide is CN(Cc1ccc(F)c(F)c1)C(=O)C1CC(C2CC2)NN1.
What is the InChIKey of 5-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-N-methylpyrazolidine-3-carboxamide?
The InChIKey is VTKJVSCWSKDQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-20(8-9-2-5-11(16)12(17)6-9)15(21)14-7-13(18-19-14)10-3-4-10/h2,5-6,10,13-14,18-19H,3-4,7-8H2,1H3.
What are the key properties of 5-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-N-methylpyrazolidine-3-carboxamide?
5-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-N-methylpyrazolidine-3-carboxamide has a molecular weight of 295.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-N-methylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75264161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).