N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide

C19H16N4OS — CID 2114594

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
SMILESO=C(NC1=NCCS1)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C19H16N4OS/c24-18(21-19-20-11-12-25-19)17-13-16(14-7-3-1-4-8-14)22-23(17)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,20,21,24)
InChIKeyMWSYAUVFGWRLRE-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.37
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide (PubChem CID 2114594) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
PubChem CID2114594
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
SMILESO=C(NC1=NCCS1)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C19H16N4OS/c24-18(21-19-20-11-12-25-19)17-13-16(14-7-3-1-4-8-14)22-23(17)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,20,21,24)
InChIKeyMWSYAUVFGWRLRE-UHFFFAOYSA-N
XLogP3.37
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide (CID 2114594) is N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide is O=C(NC1=NCCS1)c1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide?
The InChIKey is MWSYAUVFGWRLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-18(21-19-20-11-12-25-19)17-13-16(14-7-3-1-4-8-14)22-23(17)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,20,21,24).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide is sourced from PubChem (CID 2114594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).