4-ethyl-5-methyl-3-(4-nitrophenoxy)pyrazole-1-carboxamide

C13H14N4O4 — CID 90998952

IUPAC4-ethyl-5-methyl-3-(4-nitrophenoxy)pyrazole-1-carboxamide
SMILESCCc1c(Oc2ccc([N+](=O)[O-])cc2)nn(C(N)=O)c1C
InChIInChI=1S/C13H14N4O4/c1-3-11-8(2)16(13(14)18)15-12(11)21-10-6-4-9(5-7-10)17(19)20/h4-7H,3H2,1-2H3,(H2,14,18)
InChIKeyFFNQLPDCIWWAHP-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.38
Rot. Bonds4

About 4-ethyl-5-methyl-3-(4-nitrophenoxy)pyrazole-1-carboxamide

4-ethyl-5-methyl-3-(4-nitrophenoxy)pyrazole-1-carboxamide (PubChem CID 90998952) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 4-ethyl-5-methyl-3-(4-nitrophenoxy)pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-3-(4-nitrophenoxy)pyrazole-1-carboxamide
PubChem CID90998952
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name4-ethyl-5-methyl-3-(4-nitrophenoxy)pyrazole-1-carboxamide
SMILESCCc1c(Oc2ccc([N+](=O)[O-])cc2)nn(C(N)=O)c1C
InChIInChI=1S/C13H14N4O4/c1-3-11-8(2)16(13(14)18)15-12(11)21-10-6-4-9(5-7-10)17(19)20/h4-7H,3H2,1-2H3,(H2,14,18)
InChIKeyFFNQLPDCIWWAHP-UHFFFAOYSA-N
XLogP2.38
TPSA113.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-ethyl-5-methyl-3-(4-nitrophenoxy)pyrazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-5-methyl-3-(3-methyl-4-nitrophenoxy)pyrazole-1-carboxamide
CID 91407459
3,5-dimethyl-4-[(4-nitrophenyl)methyl]pyrazole-1-carboximidamide
CID 19382696
5-[4-(4-nitrophenoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404270
(4-nitrophenyl)methyl 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzoate
CID 50888368
3-(4-nitrophenoxy)pyridazine-4-carboxylic acid
CID 80517221
3,5-dimethyl-4-nitropyrazole-1-carboxamide
CID 134262667
ethyl 2-methyl-5-(4-nitrophenoxy)pyridine-4-carboxylate
CID 157036923
(4-nitrophenyl) 2-ethylimidazole-1-carboxylate
CID 139898833
1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940555
ethyl (2S)-2-(4-nitrophenoxy)butanoate
CID 95358569
[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
CID 14344371
ethyl 2-[2-bromo-4-(4-nitrophenoxy)phenyl]acetate
CID 70985146

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-3-(4-nitrophenoxy)pyrazole-1-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-3-(4-nitrophenoxy)pyrazole-1-carboxamide (CID 90998952) is 4-ethyl-5-methyl-3-(4-nitrophenoxy)pyrazole-1-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-3-(4-nitrophenoxy)pyrazole-1-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-3-(4-nitrophenoxy)pyrazole-1-carboxamide is CCc1c(Oc2ccc([N+](=O)[O-])cc2)nn(C(N)=O)c1C.
What is the InChIKey of 4-ethyl-5-methyl-3-(4-nitrophenoxy)pyrazole-1-carboxamide?
The InChIKey is FFNQLPDCIWWAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-3-11-8(2)16(13(14)18)15-12(11)21-10-6-4-9(5-7-10)17(19)20/h4-7H,3H2,1-2H3,(H2,14,18).
What are the key properties of 4-ethyl-5-methyl-3-(4-nitrophenoxy)pyrazole-1-carboxamide?
4-ethyl-5-methyl-3-(4-nitrophenoxy)pyrazole-1-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-3-(4-nitrophenoxy)pyrazole-1-carboxamide is sourced from PubChem (CID 90998952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).