N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide

C16H16ClN5OS — CID 49162463

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide
SMILESCC(C)(C)c1nnc(NC(=O)c2cnn(-c3ccccc3Cl)c2)s1
InChIInChI=1S/C16H16ClN5OS/c1-16(2,3)14-20-21-15(24-14)19-13(23)10-8-18-22(9-10)12-7-5-4-6-11(12)17/h4-9H,1-3H3,(H,19,21,23)
InChIKeyIFTFQECWBPOWJA-UHFFFAOYSA-N
MW361.86 g/mol
LogP3.93
Rot. Bonds3

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide (PubChem CID 49162463) has the molecular formula C16H16ClN5OS and a molecular weight of 361.86 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide
PubChem CID49162463
Molecular FormulaC16H16ClN5OS
Molecular Weight361.86 g/mol
Exact Mass361.08
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide
SMILESCC(C)(C)c1nnc(NC(=O)c2cnn(-c3ccccc3Cl)c2)s1
InChIInChI=1S/C16H16ClN5OS/c1-16(2,3)14-20-21-15(24-14)19-13(23)10-8-18-22(9-10)12-7-5-4-6-11(12)17/h4-9H,1-3H3,(H,19,21,23)
InChIKeyIFTFQECWBPOWJA-UHFFFAOYSA-N
XLogP3.93
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.86
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
CID 49156662
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide
CID 52513898
4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
CID 55978390
1-(2-chlorophenyl)-N-(2-methoxy-3-pyridinyl)pyrazole-4-carboxamide
CID 49161240
3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4563108
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide
CID 47148519
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide
CID 24647526
1-(2-chlorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-4-carboxamide
CID 49193462
1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyrazole-4-carboxamide
CID 49158796
1-(2-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide
CID 111596778
1-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
CID 94813569
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide
CID 47316958

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide (CID 49162463) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide is CC(C)(C)c1nnc(NC(=O)c2cnn(-c3ccccc3Cl)c2)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide?
The InChIKey is IFTFQECWBPOWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5OS/c1-16(2,3)14-20-21-15(24-14)19-13(23)10-8-18-22(9-10)12-7-5-4-6-11(12)17/h4-9H,1-3H3,(H,19,21,23).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide has a molecular weight of 361.86 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 49162463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).