1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide

C20H18N4O2S — CID 24980478

IUPAC1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cc(Cn2nc(C(=O)NCc3cccs3)cc2-c2ccccc2)on1
InChIInChI=1S/C20H18N4O2S/c1-14-10-16(26-23-14)13-24-19(15-6-3-2-4-7-15)11-18(22-24)20(25)21-12-17-8-5-9-27-17/h2-11H,12-13H2,1H3,(H,21,25)
InChIKeyZYZFIJUHLFDXME-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.89
Rot. Bonds6

About 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide

1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 24980478) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID24980478
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cc(Cn2nc(C(=O)NCc3cccs3)cc2-c2ccccc2)on1
InChIInChI=1S/C20H18N4O2S/c1-14-10-16(26-23-14)13-24-19(15-6-3-2-4-7-15)11-18(22-24)20(25)21-12-17-8-5-9-27-17/h2-11H,12-13H2,1H3,(H,21,25)
InChIKeyZYZFIJUHLFDXME-UHFFFAOYSA-N
XLogP3.89
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide (CID 24980478) is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide is Cc1cc(Cn2nc(C(=O)NCc3cccs3)cc2-c2ccccc2)on1.
What is the InChIKey of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is ZYZFIJUHLFDXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-14-10-16(26-23-14)13-24-19(15-6-3-2-4-7-15)11-18(22-24)20(25)21-12-17-8-5-9-27-17/h2-11H,12-13H2,1H3,(H,21,25).
What are the key properties of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 24980478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).