N-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide

C14H14N4O — CID 19280815

IUPACN-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2ccccc2C#N)c1C
InChIInChI=1S/C14H14N4O/c1-3-18-10(2)12(9-16-18)14(19)17-13-7-5-4-6-11(13)8-15/h4-7,9H,3H2,1-2H3,(H,17,19)
InChIKeyXZKREZBADADFLH-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.34
Rot. Bonds3

About N-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide

N-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide (PubChem CID 19280815) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
PubChem CID19280815
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2ccccc2C#N)c1C
InChIInChI=1S/C14H14N4O/c1-3-18-10(2)12(9-16-18)14(19)17-13-7-5-4-6-11(13)8-15/h4-7,9H,3H2,1-2H3,(H,17,19)
InChIKeyXZKREZBADADFLH-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-4-nitrophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280913
N-(4-cyano-2-methoxyphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 154780004
N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110864734
N-(1-ethyl-5-methylpyrazol-4-yl)-2-iodobenzamide
CID 19394235
5-amino-N-(2-cyanophenyl)-2-methylpyridine-3-carboxamide
CID 54913836
N-(2-cyanophenyl)-4-ethyl-5-methylthiophene-3-carboxamide
CID 6468804
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
2-bromo-N-(2-cyanophenyl)-3-methylbenzamide
CID 103857096
N-(2-cyanophenyl)-2-propoxybenzamide
CID 4947824
N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide
CID 63107973
N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110864602

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide (CID 19280815) is N-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide is CCn1ncc(C(=O)Nc2ccccc2C#N)c1C.
What is the InChIKey of N-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide?
The InChIKey is XZKREZBADADFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-3-18-10(2)12(9-16-18)14(19)17-13-7-5-4-6-11(13)8-15/h4-7,9H,3H2,1-2H3,(H,17,19).
What are the key properties of N-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide?
N-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19280815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).