5-(5-methylthiophen-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide

C18H15N5O2S — CID 70711260

IUPAC5-(5-methylthiophen-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3nnc(-c4ccccc4)o3)n[nH]2)s1
InChIInChI=1S/C18H15N5O2S/c1-11-7-8-15(26-11)13-9-14(21-20-13)17(24)19-10-16-22-23-18(25-16)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,24)(H,20,21)
InChIKeyQSOCAMXLZQAKOU-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.43
Rot. Bonds5

About 5-(5-methylthiophen-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide

5-(5-methylthiophen-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 70711260) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID70711260
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name5-(5-methylthiophen-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3nnc(-c4ccccc4)o3)n[nH]2)s1
InChIInChI=1S/C18H15N5O2S/c1-11-7-8-15(26-11)13-9-14(21-20-13)17(24)19-10-16-22-23-18(25-16)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,24)(H,20,21)
InChIKeyQSOCAMXLZQAKOU-UHFFFAOYSA-N
XLogP3.43
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-methylthiophen-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide (CID 70711260) is 5-(5-methylthiophen-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-methylthiophen-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3nnc(-c4ccccc4)o3)n[nH]2)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is QSOCAMXLZQAKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-11-7-8-15(26-11)13-9-14(21-20-13)17(24)19-10-16-22-23-18(25-16)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,24)(H,20,21).
What are the key properties of 5-(5-methylthiophen-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
5-(5-methylthiophen-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 70711260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).