N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide

C22H19N3O — CID 19394819

IUPACN-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccn(Cc2cccc3ccccc23)n1
InChIInChI=1S/C22H19N3O/c26-22(15-17-7-2-1-3-8-17)23-21-13-14-25(24-21)16-19-11-6-10-18-9-4-5-12-20(18)19/h1-14H,15-16H2,(H,23,24,26)
InChIKeyJBBRVAYYMPOUMF-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.27
Rot. Bonds5

About N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide

N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide (PubChem CID 19394819) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide
PubChem CID19394819
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccn(Cc2cccc3ccccc23)n1
InChIInChI=1S/C22H19N3O/c26-22(15-17-7-2-1-3-8-17)23-21-13-14-25(24-21)16-19-11-6-10-18-9-4-5-12-20(18)19/h1-14H,15-16H2,(H,23,24,26)
InChIKeyJBBRVAYYMPOUMF-UHFFFAOYSA-N
XLogP4.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19398605
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19525858
3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19394803
trans-(1R,2R)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide
CID 35526195
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19526166
3-cyano-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19398566
4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19394835
3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19552110
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19520081
1-(4-ethylphenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea
CID 19399205
3-[(4-ethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19394881
2-chloro-5-methylsulfanyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19394839

Frequently Asked Questions

What is the IUPAC name of N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide?
The IUPAC name of N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide (CID 19394819) is N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccn(Cc2cccc3ccccc23)n1.
What is the InChIKey of N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide?
The InChIKey is JBBRVAYYMPOUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c26-22(15-17-7-2-1-3-8-17)23-21-13-14-25(24-21)16-19-11-6-10-18-9-4-5-12-20(18)19/h1-14H,15-16H2,(H,23,24,26).
What are the key properties of N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide?
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 341.41 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 19394819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).