4-cyano-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide

C16H12N4O — CID 118526935

IUPAC4-cyano-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide
SMILESN#Cc1cnn(C(=O)NCc2ccc3ccccc3c2)c1
InChIInChI=1S/C16H12N4O/c17-8-13-10-19-20(11-13)16(21)18-9-12-5-6-14-3-1-2-4-15(14)7-12/h1-7,10-11H,9H2,(H,18,21)
InChIKeyLJWFCILVMNRZDS-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.67
Rot. Bonds2

About 4-cyano-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide

4-cyano-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide (PubChem CID 118526935) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-cyano-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide
PubChem CID118526935
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name4-cyano-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide
SMILESN#Cc1cnn(C(=O)NCc2ccc3ccccc3c2)c1
InChIInChI=1S/C16H12N4O/c17-8-13-10-19-20(11-13)16(21)18-9-12-5-6-14-3-1-2-4-15(14)7-12/h1-7,10-11H,9H2,(H,18,21)
InChIKeyLJWFCILVMNRZDS-UHFFFAOYSA-N
XLogP2.67
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Bromopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 118526510
1-[4-(Naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile
CID 118526557
1-[4-[(4-Phenylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile
CID 118526559
(4-Iodopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 118526966
4-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide
CID 118526497
(4-Methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 118526739
[4-(Naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone
CID 118526755
4-cyano-N-(4-phenylbutyl)pyrazole-1-carboxamide
CID 118526846
4-cyano-N-(3-phenylpropyl)pyrazole-1-carboxamide
CID 118526979
1-[4-(Dinaphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile
CID 155557420
[4-(Dinaphthalen-2-ylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone
CID 155561836
4-methyl-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide
CID 118526586

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide?
The IUPAC name of 4-cyano-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide (CID 118526935) is 4-cyano-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide.
What is the SMILES notation for 4-cyano-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide?
The canonical SMILES for 4-cyano-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide is N#Cc1cnn(C(=O)NCc2ccc3ccccc3c2)c1.
What is the InChIKey of 4-cyano-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide?
The InChIKey is LJWFCILVMNRZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c17-8-13-10-19-20(11-13)16(21)18-9-12-5-6-14-3-1-2-4-15(14)7-12/h1-7,10-11H,9H2,(H,18,21).
What are the key properties of 4-cyano-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide?
4-cyano-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 118526935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).