4-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide

C13H13ClN4O4 — CID 19263279

IUPAC4-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])n1
InChIInChI=1S/C13H13ClN4O4/c1-3-17-7-9(14)12(16-17)13(19)15-10-5-4-8(22-2)6-11(10)18(20)21/h4-7H,3H2,1-2H3,(H,15,19)
InChIKeyZTVIPZXGWMPECZ-UHFFFAOYSA-N
MW324.72 g/mol
LogP2.73
Rot. Bonds5

About 4-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide

4-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide (PubChem CID 19263279) has the molecular formula C13H13ClN4O4 and a molecular weight of 324.72 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide
PubChem CID19263279
Molecular FormulaC13H13ClN4O4
Molecular Weight324.72 g/mol
Exact Mass324.06
IUPAC Name4-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])n1
InChIInChI=1S/C13H13ClN4O4/c1-3-17-7-9(14)12(16-17)13(19)15-10-5-4-8(22-2)6-11(10)18(20)21/h4-7H,3H2,1-2H3,(H,15,19)
InChIKeyZTVIPZXGWMPECZ-UHFFFAOYSA-N
XLogP2.73
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.72
LogP ≤ 52.73
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-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-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

1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide
CID 19262186
4-chloro-1-ethyl-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide
CID 19263365
4-chloro-1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 39855114
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
CID 3101370
2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 3620305
1-(2-amino-2-oxoethyl)-4-chloro-N-(2,5-dimethoxyphenyl)pyrazole-3-carboxamide
CID 19614774
4-chloro-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide
CID 19263590
2-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide
CID 19515707
N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522119
methyl 4-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 19263773
N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide
CID 3140520

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide (CID 19263279) is 4-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])n1.
What is the InChIKey of 4-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide?
The InChIKey is ZTVIPZXGWMPECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O4/c1-3-17-7-9(14)12(16-17)13(19)15-10-5-4-8(22-2)6-11(10)18(20)21/h4-7H,3H2,1-2H3,(H,15,19).
What are the key properties of 4-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide has a molecular weight of 324.72 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19263279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).