N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide

C11H15N5OS — CID 31039314

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCCCCc1nnc(NC(=O)c2cnn(C)c2)s1
InChIInChI=1S/C11H15N5OS/c1-3-4-5-9-14-15-11(18-9)13-10(17)8-6-12-16(2)7-8/h6-7H,3-5H2,1-2H3,(H,13,15,17)
InChIKeyGOYFNELPOYZIKS-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.87
Rot. Bonds5

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 31039314) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide
PubChem CID31039314
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCCCCc1nnc(NC(=O)c2cnn(C)c2)s1
InChIInChI=1S/C11H15N5OS/c1-3-4-5-9-14-15-11(18-9)13-10(17)8-6-12-16(2)7-8/h6-7H,3-5H2,1-2H3,(H,13,15,17)
InChIKeyGOYFNELPOYZIKS-UHFFFAOYSA-N
XLogP1.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide (CID 31039314) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide is CCCCc1nnc(NC(=O)c2cnn(C)c2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is GOYFNELPOYZIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-3-4-5-9-14-15-11(18-9)13-10(17)8-6-12-16(2)7-8/h6-7H,3-5H2,1-2H3,(H,13,15,17).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 31039314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).