N-(4-cyano-2-methoxyphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide

C15H16N4O2 — CID 154780004

IUPACN-(4-cyano-2-methoxyphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2ccc(C#N)cc2OC)c1C
InChIInChI=1S/C15H16N4O2/c1-4-19-10(2)12(9-17-19)15(20)18-13-6-5-11(8-16)7-14(13)21-3/h5-7,9H,4H2,1-3H3,(H,18,20)
InChIKeyXIKUFFAQPLVTBL-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.34
Rot. Bonds4

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

N-(4-cyano-2-methoxyphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide (PubChem CID 154780004) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(4-cyano-2-methoxyphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-2-methoxyphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
PubChem CID154780004
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-(4-cyano-2-methoxyphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2ccc(C#N)cc2OC)c1C
InChIInChI=1S/C15H16N4O2/c1-4-19-10(2)12(9-17-19)15(20)18-13-6-5-11(8-16)7-14(13)21-3/h5-7,9H,4H2,1-3H3,(H,18,20)
InChIKeyXIKUFFAQPLVTBL-UHFFFAOYSA-N
XLogP2.34
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyano-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114343595
N-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280815
N-(2-cyano-4-nitrophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280913
N-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide
CID 104854981
N-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 104849120
5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide
CID 104848978
5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide
CID 104849115
5-[(4-cyano-2-methoxyanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631557
3-(4-cyano-2-methoxyphenyl)-1,1-diethylurea
CID 104844636
N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 104850047
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104848994

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methoxyphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(4-cyano-2-methoxyphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide (CID 154780004) is N-(4-cyano-2-methoxyphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-cyano-2-methoxyphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-cyano-2-methoxyphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide is CCn1ncc(C(=O)Nc2ccc(C#N)cc2OC)c1C.
What is the InChIKey of N-(4-cyano-2-methoxyphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide?
The InChIKey is XIKUFFAQPLVTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-4-19-10(2)12(9-17-19)15(20)18-13-6-5-11(8-16)7-14(13)21-3/h5-7,9H,4H2,1-3H3,(H,18,20).
What are the key properties of N-(4-cyano-2-methoxyphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide?
N-(4-cyano-2-methoxyphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methoxyphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 154780004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).