1-methyl-3-propan-2-yl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-5-carboxamide

C15H17N5O2S — CID 50963032

IUPAC1-methyl-3-propan-2-yl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2noc(-c3cccs3)n2)n(C)n1
InChIInChI=1S/C15H17N5O2S/c1-9(2)10-7-11(20(3)18-10)14(21)16-8-13-17-15(22-19-13)12-5-4-6-23-12/h4-7,9H,8H2,1-3H3,(H,16,21)
InChIKeyAOLOPDBYWWEDMT-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.59
Rot. Bonds5

About 1-methyl-3-propan-2-yl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-5-carboxamide

1-methyl-3-propan-2-yl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-5-carboxamide (PubChem CID 50963032) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-5-carboxamide
PubChem CID50963032
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name1-methyl-3-propan-2-yl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2noc(-c3cccs3)n2)n(C)n1
InChIInChI=1S/C15H17N5O2S/c1-9(2)10-7-11(20(3)18-10)14(21)16-8-13-17-15(22-19-13)12-5-4-6-23-12/h4-7,9H,8H2,1-3H3,(H,16,21)
InChIKeyAOLOPDBYWWEDMT-UHFFFAOYSA-N
XLogP2.59
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-propan-2-yl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-5-carboxamide (CID 50963032) is 1-methyl-3-propan-2-yl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-propan-2-yl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-propan-2-yl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-5-carboxamide is CC(C)c1cc(C(=O)NCc2noc(-c3cccs3)n2)n(C)n1.
What is the InChIKey of 1-methyl-3-propan-2-yl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is AOLOPDBYWWEDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-9(2)10-7-11(20(3)18-10)14(21)16-8-13-17-15(22-19-13)12-5-4-6-23-12/h4-7,9H,8H2,1-3H3,(H,16,21).
What are the key properties of 1-methyl-3-propan-2-yl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-5-carboxamide?
1-methyl-3-propan-2-yl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 50963032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).