N-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C17H13N5OS — CID 55930525

IUPACN-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1-n1cccn1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C17H13N5OS/c23-17(14-11-13(20-21-14)16-7-3-10-24-16)19-12-5-1-2-6-15(12)22-9-4-8-18-22/h1-11H,(H,19,23)(H,20,21)
InChIKeyUHNJFUCDNIVGTM-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.58
Rot. Bonds4

About N-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55930525) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID55930525
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC NameN-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1-n1cccn1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C17H13N5OS/c23-17(14-11-13(20-21-14)16-7-3-10-24-16)19-12-5-1-2-6-15(12)22-9-4-8-18-22/h1-11H,(H,19,23)(H,20,21)
InChIKeyUHNJFUCDNIVGTM-UHFFFAOYSA-N
XLogP3.58
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
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N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55786539
N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
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N-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55858520
N-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
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6-chloro-N-(2-pyrazol-1-ylphenyl)pyridazine-3-carboxamide
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N-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55746673
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119101290
N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 55930525) is N-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(Nc1ccccc1-n1cccn1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is UHNJFUCDNIVGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c23-17(14-11-13(20-21-14)16-7-3-10-24-16)19-12-5-1-2-6-15(12)22-9-4-8-18-22/h1-11H,(H,19,23)(H,20,21).
What are the key properties of N-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55930525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).