1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide

C15H11N7OS — CID 4963779

IUPAC1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C15H11N7OS/c23-14(16-15-17-20-21-18-15)11-9-22(10-5-2-1-3-6-10)19-13(11)12-7-4-8-24-12/h1-9H,(H2,16,17,18,20,21,23)
InChIKeyRKKRDXMJKWRJGQ-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.37
Rot. Bonds4

About 1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide

1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 4963779) has the molecular formula C15H11N7OS and a molecular weight of 337.37 g/mol. Its IUPAC name is 1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID4963779
Molecular FormulaC15H11N7OS
Molecular Weight337.37 g/mol
Exact Mass337.07
IUPAC Name1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C15H11N7OS/c23-14(16-15-17-20-21-18-15)11-9-22(10-5-2-1-3-6-10)19-13(11)12-7-4-8-24-12/h1-9H,(H2,16,17,18,20,21,23)
InChIKeyRKKRDXMJKWRJGQ-UHFFFAOYSA-N
XLogP2.37
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 8745127
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2999058
N-(3-acetamidophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282160
N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336057
N-(2,4-dioxoimidazolidin-1-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 78809218
1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea
CID 86835748
1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide
CID 78813902
N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336041
N-(2-phenoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2407481
N-(4-carbamoyl-3-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 56518325
N'-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide
CID 27692078

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide (CID 4963779) is 1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide is O=C(Nc1nn[nH]n1)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is RKKRDXMJKWRJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7OS/c23-14(16-15-17-20-21-18-15)11-9-22(10-5-2-1-3-6-10)19-13(11)12-7-4-8-24-12/h1-9H,(H2,16,17,18,20,21,23).
What are the key properties of 1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide?
1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 337.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 4963779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).