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

C15H14ClN5OS — CID 2127609

IUPAC5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)s1
InChIInChI=1S/C15H14ClN5OS/c1-3-11-18-19-15(23-11)17-14(22)12-9(2)20-21(13(12)16)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,17,19,22)
InChIKeyYKRYZXDXSNCAHH-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.50
Rot. Bonds4

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

5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 2127609) has the molecular formula C15H14ClN5OS and a molecular weight of 347.83 g/mol. Its IUPAC name is 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID2127609
Molecular FormulaC15H14ClN5OS
Molecular Weight347.83 g/mol
Exact Mass347.06
IUPAC Name5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)s1
InChIInChI=1S/C15H14ClN5OS/c1-3-11-18-19-15(23-11)17-14(22)12-9(2)20-21(13(12)16)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,17,19,22)
InChIKeyYKRYZXDXSNCAHH-UHFFFAOYSA-N
XLogP3.50
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide (CID 2127609) is 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide is CCc1nnc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)s1.
What is the InChIKey of 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is YKRYZXDXSNCAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5OS/c1-3-11-18-19-15(23-11)17-14(22)12-9(2)20-21(13(12)16)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,17,19,22).
What are the key properties of 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide?
5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 347.83 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2127609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).