5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide

C18H21N5OS — CID 24555264

IUPAC5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2cnn(-c3ccccc3)c2C)s1
InChIInChI=1S/C18H21N5OS/c1-4-13(5-2)17-21-22-18(25-17)20-16(24)15-11-19-23(12(15)3)14-9-7-6-8-10-14/h6-11,13H,4-5H2,1-3H3,(H,20,22,24)
InChIKeyQOYCLAUJDYOJSY-UHFFFAOYSA-N
MW355.47 g/mol
LogP4.19
Rot. Bonds6

About 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide

5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 24555264) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID24555264
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2cnn(-c3ccccc3)c2C)s1
InChIInChI=1S/C18H21N5OS/c1-4-13(5-2)17-21-22-18(25-17)20-16(24)15-11-19-23(12(15)3)14-9-7-6-8-10-14/h6-11,13H,4-5H2,1-3H3,(H,20,22,24)
InChIKeyQOYCLAUJDYOJSY-UHFFFAOYSA-N
XLogP4.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide (CID 24555264) is 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide is CCC(CC)c1nnc(NC(=O)c2cnn(-c3ccccc3)c2C)s1.
What is the InChIKey of 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is QOYCLAUJDYOJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-4-13(5-2)17-21-22-18(25-17)20-16(24)15-11-19-23(12(15)3)14-9-7-6-8-10-14/h6-11,13H,4-5H2,1-3H3,(H,20,22,24).
What are the key properties of 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide?
5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 355.47 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 24555264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).