2,4-dimethyl-5-[5-(3-phenylpropyl)-1H-pyrazol-3-yl]-1,3-thiazole

C17H19N3S — CID 162677390

IUPAC2,4-dimethyl-5-[5-(3-phenylpropyl)-1H-pyrazol-3-yl]-1,3-thiazole
SMILESCc1nc(C)c(-c2cc(CCCc3ccccc3)[nH]n2)s1
InChIInChI=1S/C17H19N3S/c1-12-17(21-13(2)18-12)16-11-15(19-20-16)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,19,20)
InChIKeyABJPGNDORJFYMH-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.33
Rot. Bonds5

About 2,4-dimethyl-5-[5-(3-phenylpropyl)-1H-pyrazol-3-yl]-1,3-thiazole

2,4-dimethyl-5-[5-(3-phenylpropyl)-1H-pyrazol-3-yl]-1,3-thiazole (PubChem CID 162677390) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 2,4-dimethyl-5-[5-(3-phenylpropyl)-1H-pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[5-(3-phenylpropyl)-1H-pyrazol-3-yl]-1,3-thiazole
PubChem CID162677390
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name2,4-dimethyl-5-[5-(3-phenylpropyl)-1H-pyrazol-3-yl]-1,3-thiazole
SMILESCc1nc(C)c(-c2cc(CCCc3ccccc3)[nH]n2)s1
InChIInChI=1S/C17H19N3S/c1-12-17(21-13(2)18-12)16-11-15(19-20-16)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,19,20)
InChIKeyABJPGNDORJFYMH-UHFFFAOYSA-N
XLogP4.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethyl-5-[5-(3-phenylpropyl)-1H-pyrazol-3-yl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[5-(3-phenylpropyl)-1H-pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[5-(3-phenylpropyl)-1H-pyrazol-3-yl]-1,3-thiazole (CID 162677390) is 2,4-dimethyl-5-[5-(3-phenylpropyl)-1H-pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[5-(3-phenylpropyl)-1H-pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[5-(3-phenylpropyl)-1H-pyrazol-3-yl]-1,3-thiazole is Cc1nc(C)c(-c2cc(CCCc3ccccc3)[nH]n2)s1.
What is the InChIKey of 2,4-dimethyl-5-[5-(3-phenylpropyl)-1H-pyrazol-3-yl]-1,3-thiazole?
The InChIKey is ABJPGNDORJFYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-12-17(21-13(2)18-12)16-11-15(19-20-16)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,19,20).
What are the key properties of 2,4-dimethyl-5-[5-(3-phenylpropyl)-1H-pyrazol-3-yl]-1,3-thiazole?
2,4-dimethyl-5-[5-(3-phenylpropyl)-1H-pyrazol-3-yl]-1,3-thiazole has a molecular weight of 297.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[5-(3-phenylpropyl)-1H-pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 162677390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).