N-(4-nitrophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide

C18H12N4O3S2 — CID 155557830

IUPACN-(4-nitrophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)n1nccc1-c1ccc(-c2cccs2)s1
InChIInChI=1S/C18H12N4O3S2/c23-18(20-12-3-5-13(6-4-12)22(24)25)21-14(9-10-19-21)15-7-8-17(27-15)16-2-1-11-26-16/h1-11H,(H,20,23)
InChIKeyRZKHFOQXJOWICD-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.33
Rot. Bonds4

About N-(4-nitrophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide

N-(4-nitrophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide (PubChem CID 155557830) has the molecular formula C18H12N4O3S2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(4-nitrophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide
PubChem CID155557830
Molecular FormulaC18H12N4O3S2
Molecular Weight396.45 g/mol
Exact Mass396.04
IUPAC NameN-(4-nitrophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)n1nccc1-c1ccc(-c2cccs2)s1
InChIInChI=1S/C18H12N4O3S2/c23-18(20-12-3-5-13(6-4-12)22(24)25)21-14(9-10-19-21)15-7-8-17(27-15)16-2-1-11-26-16/h1-11H,(H,20,23)
InChIKeyRZKHFOQXJOWICD-UHFFFAOYSA-N
XLogP5.33
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-(2-chloro-4-nitrophenyl)-N-phenylpyrazole-1-carboxamide
CID 2824233
(4-methoxyphenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone
CID 2739870
N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 43032437
N-(4-nitrophenyl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 16801204
2-(4-nitrophenyl)thiophene
CID 609512
N-(4-nitrophenyl)imidazole-1-carboxamide
CID 14907723
2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide
CID 8800986
N-(4-nitrophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364097
N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416783
5-[(4-nitrophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine
CID 137301649
2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5428360
1-methyl-3-(4-nitrophenyl)-1-(thiophen-2-ylmethyl)thiourea
CID 8681187

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide?
The IUPAC name of N-(4-nitrophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide (CID 155557830) is N-(4-nitrophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide.
What is the SMILES notation for N-(4-nitrophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide?
The canonical SMILES for N-(4-nitrophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)n1nccc1-c1ccc(-c2cccs2)s1.
What is the InChIKey of N-(4-nitrophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide?
The InChIKey is RZKHFOQXJOWICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O3S2/c23-18(20-12-3-5-13(6-4-12)22(24)25)21-14(9-10-19-21)15-7-8-17(27-15)16-2-1-11-26-16/h1-11H,(H,20,23).
What are the key properties of N-(4-nitrophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide?
N-(4-nitrophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide is sourced from PubChem (CID 155557830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).