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

C19H20ClN5OS — CID 1451519

IUPAC5-chloro-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C19H20ClN5OS/c1-12-15(16(20)25(24-12)14-10-6-3-7-11-14)17(26)21-19-23-22-18(27-19)13-8-4-2-5-9-13/h3,6-7,10-11,13H,2,4-5,8-9H2,1H3,(H,21,23,26)
InChIKeyOTZRLMAFJDZVRE-UHFFFAOYSA-N
MW401.92 g/mol
LogP4.99
Rot. Bonds4

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

5-chloro-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 1451519) has the molecular formula C19H20ClN5OS and a molecular weight of 401.92 g/mol. Its IUPAC name is 5-chloro-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID1451519
Molecular FormulaC19H20ClN5OS
Molecular Weight401.92 g/mol
Exact Mass401.11
IUPAC Name5-chloro-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C19H20ClN5OS/c1-12-15(16(20)25(24-12)14-10-6-3-7-11-14)17(26)21-19-23-22-18(27-19)13-8-4-2-5-9-13/h3,6-7,10-11,13H,2,4-5,8-9H2,1H3,(H,21,23,26)
InChIKeyOTZRLMAFJDZVRE-UHFFFAOYSA-N
XLogP4.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.99
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-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide (CID 1451519) is 5-chloro-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of 5-chloro-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is OTZRLMAFJDZVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5OS/c1-12-15(16(20)25(24-12)14-10-6-3-7-11-14)17(26)21-19-23-22-18(27-19)13-8-4-2-5-9-13/h3,6-7,10-11,13H,2,4-5,8-9H2,1H3,(H,21,23,26).
What are the key properties of 5-chloro-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide?
5-chloro-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 401.92 g/mol, XLogP of 4.99, 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-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1451519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).