N-butyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide

C12H15N3OS — CID 71824151

IUPACN-butyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
SMILESCCCCNC(=O)c1cn[nH]c1-c1cccs1
InChIInChI=1S/C12H15N3OS/c1-2-3-6-13-12(16)9-8-14-15-11(9)10-5-4-7-17-10/h4-5,7-8H,2-3,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyZSSNRSPESUCVGI-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.67
Rot. Bonds5

About N-butyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide

N-butyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 71824151) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-butyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
PubChem CID71824151
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-butyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
SMILESCCCCNC(=O)c1cn[nH]c1-c1cccs1
InChIInChI=1S/C12H15N3OS/c1-2-3-6-13-12(16)9-8-14-15-11(9)10-5-4-7-17-10/h4-5,7-8H,2-3,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyZSSNRSPESUCVGI-UHFFFAOYSA-N
XLogP2.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824157
5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 71824121
N-[(4-bromophenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824128
N-cyclopentyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824156
N-[(3,4-dimethoxyphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824137
N-butyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 71824213
N-[(Z)-(2-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 6261074
3-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 142738671
N-butyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110335994
5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 119432488
N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 169418282
N-[(Z)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 6103347

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-butyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide (CID 71824151) is N-butyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-butyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-butyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide is CCCCNC(=O)c1cn[nH]c1-c1cccs1.
What is the InChIKey of N-butyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is ZSSNRSPESUCVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-3-6-13-12(16)9-8-14-15-11(9)10-5-4-7-17-10/h4-5,7-8H,2-3,6H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-butyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
N-butyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).