N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide

C20H17N5OS — CID 2426745

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)s1
InChIInChI=1S/C20H17N5OS/c1-2-18-22-23-20(27-18)21-19(26)17-13-16(14-9-5-3-6-10-14)24-25(17)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,21,23,26)
InChIKeyDKELKMQNSSEVBM-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.21
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide (PubChem CID 2426745) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
PubChem CID2426745
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)s1
InChIInChI=1S/C20H17N5OS/c1-2-18-22-23-20(27-18)21-19(26)17-13-16(14-9-5-3-6-10-14)24-25(17)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,21,23,26)
InChIKeyDKELKMQNSSEVBM-UHFFFAOYSA-N
XLogP4.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide (CID 2426745) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide is CCc1nnc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide?
The InChIKey is DKELKMQNSSEVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-2-18-22-23-20(27-18)21-19(26)17-13-16(14-9-5-3-6-10-14)24-25(17)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,21,23,26).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide has a molecular weight of 375.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide is sourced from PubChem (CID 2426745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).