5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide

C17H16ClF2N3O — CID 75194339

IUPAC5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)C1CC(c2ccccc2Cl)NN1
InChIInChI=1S/C17H16ClF2N3O/c18-14-4-2-1-3-13(14)15-8-16(23-22-15)17(24)21-9-10-5-11(19)7-12(20)6-10/h1-7,15-16,22-23H,8-9H2,(H,21,24)
InChIKeyYGALAAPXMGLINU-UHFFFAOYSA-N
MW351.78 g/mol
LogP2.84
Rot. Bonds4

About 5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide

5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide (PubChem CID 75194339) has the molecular formula C17H16ClF2N3O and a molecular weight of 351.78 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide
PubChem CID75194339
Molecular FormulaC17H16ClF2N3O
Molecular Weight351.78 g/mol
Exact Mass351.09
IUPAC Name5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)C1CC(c2ccccc2Cl)NN1
InChIInChI=1S/C17H16ClF2N3O/c18-14-4-2-1-3-13(14)15-8-16(23-22-15)17(24)21-9-10-5-11(19)7-12(20)6-10/h1-7,15-16,22-23H,8-9H2,(H,21,24)
InChIKeyYGALAAPXMGLINU-UHFFFAOYSA-N
XLogP2.84
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.78
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide
CID 75255164
5-(4-bromophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75283635
5-(2-chlorophenyl)-N-methylpyrazolidine-3-carboxamide
CID 75973488
5-(2-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
CID 52986265
5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide
CID 52978511
N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605919
5-(2-chlorophenyl)-N-(3,4-difluorophenyl)pyrazolidine-3-carboxamide
CID 75254781
5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide
CID 75138330
N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605915
5-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
CID 75254792
5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide
CID 75254818
5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide
CID 75255190

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide (CID 75194339) is 5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide is O=C(NCc1cc(F)cc(F)c1)C1CC(c2ccccc2Cl)NN1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide?
The InChIKey is YGALAAPXMGLINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N3O/c18-14-4-2-1-3-13(14)15-8-16(23-22-15)17(24)21-9-10-5-11(19)7-12(20)6-10/h1-7,15-16,22-23H,8-9H2,(H,21,24).
What are the key properties of 5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide?
5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide has a molecular weight of 351.78 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 75194339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).