2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1,3-thiazole

C19H17N3S — CID 50907939

IUPAC2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1,3-thiazole
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C2=NCCS2)cc1
InChIInChI=1S/C19H17N3S/c1-14-7-9-15(10-8-14)18-17(19-20-11-12-23-19)13-22(21-18)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3
InChIKeyDMNQSGCGWIITHV-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.34
Rot. Bonds3

About 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1,3-thiazole

2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1,3-thiazole (PubChem CID 50907939) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1,3-thiazole
PubChem CID50907939
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1,3-thiazole
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C2=NCCS2)cc1
InChIInChI=1S/C19H17N3S/c1-14-7-9-15(10-8-14)18-17(19-20-11-12-23-19)13-22(21-18)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3
InChIKeyDMNQSGCGWIITHV-UHFFFAOYSA-N
XLogP4.34
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1,3-thiazole (CID 50907939) is 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1,3-thiazole is Cc1ccc(-c2nn(-c3ccccc3)cc2C2=NCCS2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1,3-thiazole?
The InChIKey is DMNQSGCGWIITHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S/c1-14-7-9-15(10-8-14)18-17(19-20-11-12-23-19)13-22(21-18)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3.
What are the key properties of 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1,3-thiazole?
2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1,3-thiazole has a molecular weight of 319.43 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 50907939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).