N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide

C21H19F2N3O — CID 75605915

IUPACN-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)C1CC(c2cccc3ccccc23)NN1
InChIInChI=1S/C21H19F2N3O/c22-15-9-8-14(18(23)10-15)12-24-21(27)20-11-19(25-26-20)17-7-3-5-13-4-1-2-6-16(13)17/h1-10,19-20,25-26H,11-12H2,(H,24,27)
InChIKeyUJJVXMMOATVRGL-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.34
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide (PubChem CID 75605915) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
PubChem CID75605915
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC NameN-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)C1CC(c2cccc3ccccc23)NN1
InChIInChI=1S/C21H19F2N3O/c22-15-9-8-14(18(23)10-15)12-24-21(27)20-11-19(25-26-20)17-7-3-5-13-4-1-2-6-16(13)17/h1-10,19-20,25-26H,11-12H2,(H,24,27)
InChIKeyUJJVXMMOATVRGL-UHFFFAOYSA-N
XLogP3.34
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605919
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-fluoro-3-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605776
N-(2-fluoro-4-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605768
N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605721
5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75194339
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75255278
N-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605728
N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75283653
methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate
CID 78292345
N-[(2-chloro-4-fluorophenyl)methyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75255262

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide (CID 75605915) is N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide is O=C(NCc1ccc(F)cc1F)C1CC(c2cccc3ccccc23)NN1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The InChIKey is UJJVXMMOATVRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O/c22-15-9-8-14(18(23)10-15)12-24-21(27)20-11-19(25-26-20)17-7-3-5-13-4-1-2-6-16(13)17/h1-10,19-20,25-26H,11-12H2,(H,24,27).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75605915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).