N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C15H12N4O4S — CID 19509038

IUPACN-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccs3)[nH]n2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12N4O4S/c1-23-9-4-5-10(13(7-9)19(21)22)16-15(20)12-8-11(17-18-12)14-3-2-6-24-14/h2-8H,1H3,(H,16,20)(H,17,18)
InChIKeyYDCJPMBFDVWILC-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.31
Rot. Bonds5

About N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 19509038) has the molecular formula C15H12N4O4S and a molecular weight of 344.35 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID19509038
Molecular FormulaC15H12N4O4S
Molecular Weight344.35 g/mol
Exact Mass344.06
IUPAC NameN-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccs3)[nH]n2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12N4O4S/c1-23-9-4-5-10(13(7-9)19(21)22)16-15(20)12-8-11(17-18-12)14-3-2-6-24-14/h2-8H,1H3,(H,16,20)(H,17,18)
InChIKeyYDCJPMBFDVWILC-UHFFFAOYSA-N
XLogP3.31
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.31
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 3620305
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide
CID 103889560
N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55741810
1-(3-fluorophenyl)-N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 52553435
N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509161
1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide
CID 19262186
N-[2-(3-methoxyphenoxy)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55740476
N-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55858520
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
N-(3-nitro-5-pyridin-3-yloxyphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509260
N-(4-methoxy-2-nitrophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 19242142

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 19509038) is N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is COc1ccc(NC(=O)c2cc(-c3cccs3)[nH]n2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is YDCJPMBFDVWILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4S/c1-23-9-4-5-10(13(7-9)19(21)22)16-15(20)12-8-11(17-18-12)14-3-2-6-24-14/h2-8H,1H3,(H,16,20)(H,17,18).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19509038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).