5-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide

C15H12N4O3S — CID 71824185

IUPAC5-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1cccs1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O3S/c20-15(16-8-12-2-1-7-23-12)13-9-17-18-14(13)10-3-5-11(6-4-10)19(21)22/h1-7,9H,8H2,(H,16,20)(H,17,18)
InChIKeyLQSYVMUSFKRIAY-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.98
Rot. Bonds5

About 5-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide

5-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 71824185) has the molecular formula C15H12N4O3S and a molecular weight of 328.35 g/mol. Its IUPAC name is 5-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID71824185
Molecular FormulaC15H12N4O3S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC Name5-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1cccs1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O3S/c20-15(16-8-12-2-1-7-23-12)13-9-17-18-14(13)10-3-5-11(6-4-10)19(21)22/h1-7,9H,8H2,(H,16,20)(H,17,18)
InChIKeyLQSYVMUSFKRIAY-UHFFFAOYSA-N
XLogP2.98
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 71824121
N-butyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 71824213
2-chloro-5-nitro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 103803189
N-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 71824219
4-nitro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4925364
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824428
5-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824609
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
N-[(4-bromophenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824128
2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 62072619
5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 61146262

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide (CID 71824185) is 5-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide is O=C(NCc1cccs1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is LQSYVMUSFKRIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3S/c20-15(16-8-12-2-1-7-23-12)13-9-17-18-14(13)10-3-5-11(6-4-10)19(21)22/h1-7,9H,8H2,(H,16,20)(H,17,18).
What are the key properties of 5-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide?
5-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).