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

C22H16N4O — CID 19398566

IUPAC3-cyano-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccn(Cc3cccc4ccccc34)n2)c1
InChIInChI=1S/C22H16N4O/c23-14-16-5-3-8-18(13-16)22(27)24-21-11-12-26(25-21)15-19-9-4-7-17-6-1-2-10-20(17)19/h1-13H,15H2,(H,24,25,27)
InChIKeySYXNYSARILKAGC-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.21
Rot. Bonds4

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

3-cyano-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide (PubChem CID 19398566) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-cyano-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
PubChem CID19398566
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name3-cyano-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccn(Cc3cccc4ccccc34)n2)c1
InChIInChI=1S/C22H16N4O/c23-14-16-5-3-8-18(13-16)22(27)24-21-11-12-26(25-21)15-19-9-4-7-17-6-1-2-10-20(17)19/h1-13H,15H2,(H,24,25,27)
InChIKeySYXNYSARILKAGC-UHFFFAOYSA-N
XLogP4.21
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19404955
3-[(4-ethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19394881
4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19394835
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19398605
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide
CID 19394819
1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide
CID 19271794
2-chloro-5-methylsulfanyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19394839
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19525858
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481638
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
5-tert-butyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466318

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide?
The IUPAC name of 3-cyano-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide (CID 19398566) is 3-cyano-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 3-cyano-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide is N#Cc1cccc(C(=O)Nc2ccn(Cc3cccc4ccccc34)n2)c1.
What is the InChIKey of 3-cyano-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide?
The InChIKey is SYXNYSARILKAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c23-14-16-5-3-8-18(13-16)22(27)24-21-11-12-26(25-21)15-19-9-4-7-17-6-1-2-10-20(17)19/h1-13H,15H2,(H,24,25,27).
What are the key properties of 3-cyano-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide?
3-cyano-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide has a molecular weight of 352.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 19398566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).