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

C14H19N5OS — CID 47037207

IUPAC1-tert-butyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nnc(C3CC3)s2)cnn1C(C)(C)C
InChIInChI=1S/C14H19N5OS/c1-8-10(7-15-19(8)14(2,3)4)11(20)16-13-18-17-12(21-13)9-5-6-9/h7,9H,5-6H2,1-4H3,(H,16,18,20)
InChIKeyOOKRDEDZLPDWKY-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.93
Rot. Bonds3

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

1-tert-butyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylpyrazole-4-carboxamide (PubChem CID 47037207) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-tert-butyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylpyrazole-4-carboxamide
PubChem CID47037207
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name1-tert-butyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nnc(C3CC3)s2)cnn1C(C)(C)C
InChIInChI=1S/C14H19N5OS/c1-8-10(7-15-19(8)14(2,3)4)11(20)16-13-18-17-12(21-13)9-5-6-9/h7,9H,5-6H2,1-4H3,(H,16,18,20)
InChIKeyOOKRDEDZLPDWKY-UHFFFAOYSA-N
XLogP2.93
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
CID 8503017
methyl 2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 47046903
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 43052197
N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119600722
1-tert-butyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 112832463
2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 86962950
N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide
CID 119572405
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide
CID 4812441
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 3926032
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 29412307
4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78770285
5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methoxythiophene-3-carboxamide
CID 2814043

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylpyrazole-4-carboxamide (CID 47037207) is 1-tert-butyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2nnc(C3CC3)s2)cnn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylpyrazole-4-carboxamide?
The InChIKey is OOKRDEDZLPDWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-8-10(7-15-19(8)14(2,3)4)11(20)16-13-18-17-12(21-13)9-5-6-9/h7,9H,5-6H2,1-4H3,(H,16,18,20).
What are the key properties of 1-tert-butyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylpyrazole-4-carboxamide?
1-tert-butyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylpyrazole-4-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 47037207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).