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

C15H16N4OS — CID 2458979

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NC1=NCCS1
InChIInChI=1S/C15H16N4OS/c1-10-13(14(20)17-15-16-8-9-21-15)11(2)19(18-10)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,17,20)
InChIKeyATZARGOGDARSHL-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.32
Rot. Bonds2

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 2458979) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID2458979
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NC1=NCCS1
InChIInChI=1S/C15H16N4OS/c1-10-13(14(20)17-15-16-8-9-21-15)11(2)19(18-10)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,17,20)
InChIKeyATZARGOGDARSHL-UHFFFAOYSA-N
XLogP2.32
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.32
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)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 2458979) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is ATZARGOGDARSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10-13(14(20)17-15-16-8-9-21-15)11(2)19(18-10)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,17,20).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 2.32, 2 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)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2458979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).