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

C16H15N3O — CID 19398605

IUPACN-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(Cc2cccc3ccccc23)n1
InChIInChI=1S/C16H15N3O/c1-12(20)17-16-9-10-19(18-16)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10H,11H2,1H3,(H,17,18,20)
InChIKeyIMOOBTLBCQMNDW-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.04
Rot. Bonds3

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

N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide (PubChem CID 19398605) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
PubChem CID19398605
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(Cc2cccc3ccccc23)n1
InChIInChI=1S/C16H15N3O/c1-12(20)17-16-9-10-19(18-16)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10H,11H2,1H3,(H,17,18,20)
InChIKeyIMOOBTLBCQMNDW-UHFFFAOYSA-N
XLogP3.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide
CID 19394819
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19525858
4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19394835
N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide
CID 68643513
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
(E)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19394828
2-chloro-5-methylsulfanyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19394839
3-cyano-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19398566
3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19552110
2-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19535499
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19520081

Frequently Asked Questions

What is the IUPAC name of N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide (CID 19398605) is N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide is CC(=O)Nc1ccn(Cc2cccc3ccccc23)n1.
What is the InChIKey of N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide?
The InChIKey is IMOOBTLBCQMNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12(20)17-16-9-10-19(18-16)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10H,11H2,1H3,(H,17,18,20).
What are the key properties of N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide?
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide has a molecular weight of 265.32 g/mol, XLogP of 3.04, 3 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]acetamide is sourced from PubChem (CID 19398605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).