N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide

C14H14N4O — CID 115672371

IUPACN-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2nn(C)cc2C#N)cc1
InChIInChI=1S/C14H14N4O/c1-3-10-4-6-11(7-5-10)14(19)16-13-12(8-15)9-18(2)17-13/h4-7,9H,3H2,1-2H3,(H,16,17,19)
InChIKeyXKCBQXBQBWXXOK-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.11
Rot. Bonds3

About N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide

N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide (PubChem CID 115672371) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide
PubChem CID115672371
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2nn(C)cc2C#N)cc1
InChIInChI=1S/C14H14N4O/c1-3-10-4-6-11(7-5-10)14(19)16-13-12(8-15)9-18(2)17-13/h4-7,9H,3H2,1-2H3,(H,16,17,19)
InChIKeyXKCBQXBQBWXXOK-UHFFFAOYSA-N
XLogP2.11
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 115672352
N-(4-cyano-1-methylpyrazol-3-yl)-1,3-benzodioxole-5-carboxamide
CID 104593117
3-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-5-fluorobenzamide
CID 112696256
N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide
CID 104593170
N-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide
CID 104593096
N-(4-cyano-1-methylpyrazol-3-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 104593061
5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 104593149
2-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-5-fluorobenzamide
CID 112696248
4-[(4-ethylbenzoyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410625
N-(4-cyano-1-methylpyrazol-3-yl)heptanamide
CID 114752737
N-(4-cyano-1-methylpyrazol-3-yl)octanamide
CID 112696255
N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-4-nitrobenzamide
CID 115672412

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide (CID 115672371) is N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2nn(C)cc2C#N)cc1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide?
The InChIKey is XKCBQXBQBWXXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-3-10-4-6-11(7-5-10)14(19)16-13-12(8-15)9-18(2)17-13/h4-7,9H,3H2,1-2H3,(H,16,17,19).
What are the key properties of N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide?
N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide has a molecular weight of 254.29 g/mol, XLogP of 2.11, 3 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)-4-ethylbenzamide is sourced from PubChem (CID 115672371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).