2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide

C15H18N4O2 — CID 77113127

IUPAC2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1ccc(C(C)=NO)cc1
InChIInChI=1S/C15H18N4O2/c1-4-19-14(9-10(2)17-19)15(20)16-13-7-5-12(6-8-13)11(3)18-21/h5-9,21H,4H2,1-3H3,(H,16,20)
InChIKeyUTOUCQIFBHQTOA-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.66
Rot. Bonds4

About 2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide

2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 77113127) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide
PubChem CID77113127
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1ccc(C(C)=NO)cc1
InChIInChI=1S/C15H18N4O2/c1-4-19-14(9-10(2)17-19)15(20)16-13-7-5-12(6-8-13)11(3)18-21/h5-9,21H,4H2,1-3H3,(H,16,20)
InChIKeyUTOUCQIFBHQTOA-UHFFFAOYSA-N
XLogP2.66
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide
CID 131946446
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CID 113278409
2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 90745562
2-ethyl-N-(3-fluoro-4-methylsulfonylphenyl)-5-methylpyrazole-3-carboxamide
CID 71999243
N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801604
4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid
CID 136546905
2-ethyl-N-(9-ethylcarbazol-3-yl)-5-methylpyrazole-3-carboxamide
CID 60619206
N-(3-carbamothioyl-4-fluorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66129104
N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113156
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide
CID 43185491
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113147
2-ethyl-5-methyl-N-[4-[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindole-5-carbonyl]phenyl]pyrazole-3-carboxamide
CID 123381572

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide (CID 77113127) is 2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1ccc(C(C)=NO)cc1.
What is the InChIKey of 2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is UTOUCQIFBHQTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-4-19-14(9-10(2)17-19)15(20)16-13-7-5-12(6-8-13)11(3)18-21/h5-9,21H,4H2,1-3H3,(H,16,20).
What are the key properties of 2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide?
2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 77113127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).