N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide

C16H12N4O — CID 104593170

IUPACN-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide
SMILESCn1cc(C#N)c(NC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C16H12N4O/c1-20-10-12(9-17)15(19-20)18-16(21)14-8-4-6-11-5-2-3-7-13(11)14/h2-8,10H,1H3,(H,18,19,21)
InChIKeyRRSXPBIYNDLSPH-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.70
Rot. Bonds2

About N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide

N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide (PubChem CID 104593170) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide
PubChem CID104593170
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC NameN-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide
SMILESCn1cc(C#N)c(NC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C16H12N4O/c1-20-10-12(9-17)15(19-20)18-16(21)14-8-4-6-11-5-2-3-7-13(11)14/h2-8,10H,1H3,(H,18,19,21)
InChIKeyRRSXPBIYNDLSPH-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-3-methylbenzamide
CID 103857168
N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide
CID 115672371
4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-yl)benzamide
CID 104593077
2-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-5-fluorobenzamide
CID 112696248
N-(4-cyano-1-methylpyrazol-3-yl)-6-propan-2-yloxypyridine-2-carboxamide
CID 75389228
N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 115672352
N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-4-nitrobenzamide
CID 115672412
N-(4-cyano-1-methylpyrazol-3-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 104593100
N-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 113430347
5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 104593149
1-(4-cyano-1-methylpyrazol-3-yl)-3-(3-methylphenyl)urea
CID 104593236
N-(4-cyano-1-methylpyrazol-3-yl)-2-cyclobutylacetamide
CID 103163618

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide (CID 104593170) is N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide is Cn1cc(C#N)c(NC(=O)c2cccc3ccccc23)n1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide?
The InChIKey is RRSXPBIYNDLSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-20-10-12(9-17)15(19-20)18-16(21)14-8-4-6-11-5-2-3-7-13(11)14/h2-8,10H,1H3,(H,18,19,21).
What are the key properties of N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide?
N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 104593170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).