N-(4,5-dimethyl-1,2-oxazol-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C19H16N4O2S — CID 10021679

IUPACN-(4,5-dimethyl-1,2-oxazol-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCc1onc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c1C
InChIInChI=1S/C19H16N4O2S/c1-12-13(2)25-22-18(12)20-19(24)15-11-23(14-7-4-3-5-8-14)21-17(15)16-9-6-10-26-16/h3-11H,1-2H3,(H,20,22,24)
InChIKeyIWVCXCPVSXSTLN-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.46
Rot. Bonds4

About N-(4,5-dimethyl-1,2-oxazol-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-(4,5-dimethyl-1,2-oxazol-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 10021679) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID10021679
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCc1onc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c1C
InChIInChI=1S/C19H16N4O2S/c1-12-13(2)25-22-18(12)20-19(24)15-11-23(14-7-4-3-5-8-14)21-17(15)16-9-6-10-26-16/h3-11H,1-2H3,(H,20,22,24)
InChIKeyIWVCXCPVSXSTLN-UHFFFAOYSA-N
XLogP4.46
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamidophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282160
N-(4-fluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 8745127
1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea
CID 86835748
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
N-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4812792
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55732927
N-(4-carbamoyl-3-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 56518325
1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2999058
N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336057
N-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282155
N-(2-methoxy-5-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 7778291
2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 27914141

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 10021679) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,2-oxazol-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is Cc1onc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c1C.
What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is IWVCXCPVSXSTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-12-13(2)25-22-18(12)20-19(24)15-11-23(14-7-4-3-5-8-14)21-17(15)16-9-6-10-26-16/h3-11H,1-2H3,(H,20,22,24).
What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-(4,5-dimethyl-1,2-oxazol-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,2-oxazol-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 10021679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).