1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrazole-5-carboxamide

C12H17N5OS — CID 39092399

IUPAC1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)Nc1nnc(C)s1
InChIInChI=1S/C12H17N5OS/c1-5-17-10(6-9(16-17)7(2)3)11(18)13-12-15-14-8(4)19-12/h6-7H,5H2,1-4H3,(H,13,15,18)
InChIKeyOKDTXKNNKGUCJE-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.44
Rot. Bonds4

About 1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrazole-5-carboxamide

1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 39092399) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID39092399
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)Nc1nnc(C)s1
InChIInChI=1S/C12H17N5OS/c1-5-17-10(6-9(16-17)7(2)3)11(18)13-12-15-14-8(4)19-12/h6-7H,5H2,1-4H3,(H,13,15,18)
InChIKeyOKDTXKNNKGUCJE-UHFFFAOYSA-N
XLogP2.44
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrazole-5-carboxamide (CID 39092399) is 1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)Nc1nnc(C)s1.
What is the InChIKey of 1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is OKDTXKNNKGUCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-5-17-10(6-9(16-17)7(2)3)11(18)13-12-15-14-8(4)19-12/h6-7H,5H2,1-4H3,(H,13,15,18).
What are the key properties of 1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrazole-5-carboxamide?
1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 39092399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).