N-(3-cyclobutyl-1-phenylpyrazol-5-yl)-4-methylthiadiazole-5-carboxamide

C17H17N5OS — CID 122146939

IUPACN-(3-cyclobutyl-1-phenylpyrazol-5-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1
InChIInChI=1S/C17H17N5OS/c1-11-16(24-21-19-11)17(23)18-15-10-14(12-6-5-7-12)20-22(15)13-8-3-2-4-9-13/h2-4,8-10,12H,5-7H2,1H3,(H,18,23)
InChIKeyDISBPVOXZUCMJB-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.55
Rot. Bonds4

About N-(3-cyclobutyl-1-phenylpyrazol-5-yl)-4-methylthiadiazole-5-carboxamide

N-(3-cyclobutyl-1-phenylpyrazol-5-yl)-4-methylthiadiazole-5-carboxamide (PubChem CID 122146939) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(3-cyclobutyl-1-phenylpyrazol-5-yl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyclobutyl-1-phenylpyrazol-5-yl)-4-methylthiadiazole-5-carboxamide
PubChem CID122146939
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-(3-cyclobutyl-1-phenylpyrazol-5-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1
InChIInChI=1S/C17H17N5OS/c1-11-16(24-21-19-11)17(23)18-15-10-14(12-6-5-7-12)20-22(15)13-8-3-2-4-9-13/h2-4,8-10,12H,5-7H2,1H3,(H,18,23)
InChIKeyDISBPVOXZUCMJB-UHFFFAOYSA-N
XLogP3.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutyl-1-phenylpyrazol-5-yl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-cyclobutyl-1-phenylpyrazol-5-yl)-4-methylthiadiazole-5-carboxamide (CID 122146939) is N-(3-cyclobutyl-1-phenylpyrazol-5-yl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-cyclobutyl-1-phenylpyrazol-5-yl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-cyclobutyl-1-phenylpyrazol-5-yl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1.
What is the InChIKey of N-(3-cyclobutyl-1-phenylpyrazol-5-yl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is DISBPVOXZUCMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-11-16(24-21-19-11)17(23)18-15-10-14(12-6-5-7-12)20-22(15)13-8-3-2-4-9-13/h2-4,8-10,12H,5-7H2,1H3,(H,18,23).
What are the key properties of N-(3-cyclobutyl-1-phenylpyrazol-5-yl)-4-methylthiadiazole-5-carboxamide?
N-(3-cyclobutyl-1-phenylpyrazol-5-yl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutyl-1-phenylpyrazol-5-yl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 122146939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).