N-(4-fluoro-3-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide

C21H20FN3O — CID 75605776

IUPACN-(4-fluoro-3-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(c3cccc4ccccc34)NN2)ccc1F
InChIInChI=1S/C21H20FN3O/c1-13-11-15(9-10-18(13)22)23-21(26)20-12-19(24-25-20)17-8-4-6-14-5-2-3-7-16(14)17/h2-11,19-20,24-25H,12H2,1H3,(H,23,26)
InChIKeyGDHHUCFKUQFYEW-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.83
Rot. Bonds3

About N-(4-fluoro-3-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide

N-(4-fluoro-3-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide (PubChem CID 75605776) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
PubChem CID75605776
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-(4-fluoro-3-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(c3cccc4ccccc34)NN2)ccc1F
InChIInChI=1S/C21H20FN3O/c1-13-11-15(9-10-18(13)22)23-21(26)20-12-19(24-25-20)17-8-4-6-14-5-2-3-7-16(14)17/h2-11,19-20,24-25H,12H2,1H3,(H,23,26)
InChIKeyGDHHUCFKUQFYEW-UHFFFAOYSA-N
XLogP3.83
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-4-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605768
N-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605728
N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605721
N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605915
5-(2-chlorophenyl)-N-(3,4-difluorophenyl)pyrazolidine-3-carboxamide
CID 75254781
N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605919
methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate
CID 78292345
N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605901
N-(3-fluorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74713535
5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide
CID 75254818
N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 137257958
(3S)-N-(4-fluoro-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896468

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide (CID 75605776) is N-(4-fluoro-3-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide is Cc1cc(NC(=O)C2CC(c3cccc4ccccc34)NN2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The InChIKey is GDHHUCFKUQFYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-13-11-15(9-10-18(13)22)23-21(26)20-12-19(24-25-20)17-8-4-6-14-5-2-3-7-16(14)17/h2-11,19-20,24-25H,12H2,1H3,(H,23,26).
What are the key properties of N-(4-fluoro-3-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
N-(4-fluoro-3-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 3.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75605776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).