N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide

C21H20ClN3O — CID 75605919

IUPACN-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CC(c2cccc3ccccc23)NN1
InChIInChI=1S/C21H20ClN3O/c22-16-10-8-14(9-11-16)13-23-21(26)20-12-19(24-25-20)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,19-20,24-25H,12-13H2,(H,23,26)
InChIKeyFCJCIEFXPZYKIH-UHFFFAOYSA-N
MW365.86 g/mol
LogP3.72
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide

N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide (PubChem CID 75605919) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
PubChem CID75605919
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC NameN-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CC(c2cccc3ccccc23)NN1
InChIInChI=1S/C21H20ClN3O/c22-16-10-8-14(9-11-16)13-23-21(26)20-12-19(24-25-20)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,19-20,24-25H,12-13H2,(H,23,26)
InChIKeyFCJCIEFXPZYKIH-UHFFFAOYSA-N
XLogP3.72
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605901
N-(1,3-benzodioxol-5-ylmethyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605911
N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605889
5-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75085820
N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605915
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75255278
5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75255150
5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide
CID 75255164
methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate
CID 78292345
5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75194339
N-(4-fluoro-3-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605776
5-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75255220

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide (CID 75605919) is N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CC(c2cccc3ccccc23)NN1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The InChIKey is FCJCIEFXPZYKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c22-16-10-8-14(9-11-16)13-23-21(26)20-12-19(24-25-20)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,19-20,24-25H,12-13H2,(H,23,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75605919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).