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

C15H13N5OS — CID 24647526

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H13N5OS/c21-13(17-15-19-18-14(22-15)10-6-7-10)11-8-16-20(9-11)12-4-2-1-3-5-12/h1-5,8-10H,6-7H2,(H,17,19,21)
InChIKeyUWDYEQKGKWIOGJ-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.85
Rot. Bonds4

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 24647526) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID24647526
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H13N5OS/c21-13(17-15-19-18-14(22-15)10-6-7-10)11-8-16-20(9-11)12-4-2-1-3-5-12/h1-5,8-10H,6-7H2,(H,17,19,21)
InChIKeyUWDYEQKGKWIOGJ-UHFFFAOYSA-N
XLogP2.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-yl)benzamide
CID 29411630
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide
CID 87010055
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide
CID 4812441
4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78770285
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 17171794
N-(1-adamantyl)-1-phenylpyrazole-4-carboxamide
CID 27650301
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide
CID 18189556
N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide
CID 42009736
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 27297734
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 2408234
N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide
CID 28742301

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide (CID 24647526) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide is O=C(Nc1nnc(C2CC2)s1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is UWDYEQKGKWIOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c21-13(17-15-19-18-14(22-15)10-6-7-10)11-8-16-20(9-11)12-4-2-1-3-5-12/h1-5,8-10H,6-7H2,(H,17,19,21).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 24647526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).