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

C16H19N5O2S — CID 122133107

IUPAC5-methyl-1-(2-methylpropyl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2noc(-c3cccs3)n2)cnn1CC(C)C
InChIInChI=1S/C16H19N5O2S/c1-10(2)9-21-11(3)12(7-18-21)15(22)17-8-14-19-16(23-20-14)13-5-4-6-24-13/h4-7,10H,8-9H2,1-3H3,(H,17,22)
InChIKeySYVDYEVVFDDQMS-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.89
Rot. Bonds6

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

5-methyl-1-(2-methylpropyl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 122133107) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 5-methyl-1-(2-methylpropyl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(2-methylpropyl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID122133107
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name5-methyl-1-(2-methylpropyl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2noc(-c3cccs3)n2)cnn1CC(C)C
InChIInChI=1S/C16H19N5O2S/c1-10(2)9-21-11(3)12(7-18-21)15(22)17-8-14-19-16(23-20-14)13-5-4-6-24-13/h4-7,10H,8-9H2,1-3H3,(H,17,22)
InChIKeySYVDYEVVFDDQMS-UHFFFAOYSA-N
XLogP2.89
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylpropyl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(2-methylpropyl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide (CID 122133107) is 5-methyl-1-(2-methylpropyl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(2-methylpropyl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(2-methylpropyl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCc2noc(-c3cccs3)n2)cnn1CC(C)C.
What is the InChIKey of 5-methyl-1-(2-methylpropyl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is SYVDYEVVFDDQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-10(2)9-21-11(3)12(7-18-21)15(22)17-8-14-19-16(23-20-14)13-5-4-6-24-13/h4-7,10H,8-9H2,1-3H3,(H,17,22).
What are the key properties of 5-methyl-1-(2-methylpropyl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide?
5-methyl-1-(2-methylpropyl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylpropyl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 122133107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).