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

C21H19N3S — CID 162663076

IUPAC2,4-dimethyl-5-[5-[(4-phenylphenyl)methyl]-1H-pyrazol-3-yl]-1,3-thiazole
SMILESCc1nc(C)c(-c2cc(Cc3ccc(-c4ccccc4)cc3)[nH]n2)s1
InChIInChI=1S/C21H19N3S/c1-14-21(25-15(2)22-14)20-13-19(23-24-20)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3,(H,23,24)
InChIKeyBRJXQFKKCOUCJK-UHFFFAOYSA-N
MW345.47 g/mol
LogP5.41
Rot. Bonds4

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

2,4-dimethyl-5-[5-[(4-phenylphenyl)methyl]-1H-pyrazol-3-yl]-1,3-thiazole (PubChem CID 162663076) has the molecular formula C21H19N3S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2,4-dimethyl-5-[5-[(4-phenylphenyl)methyl]-1H-pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[5-[(4-phenylphenyl)methyl]-1H-pyrazol-3-yl]-1,3-thiazole
PubChem CID162663076
Molecular FormulaC21H19N3S
Molecular Weight345.47 g/mol
Exact Mass345.13
IUPAC Name2,4-dimethyl-5-[5-[(4-phenylphenyl)methyl]-1H-pyrazol-3-yl]-1,3-thiazole
SMILESCc1nc(C)c(-c2cc(Cc3ccc(-c4ccccc4)cc3)[nH]n2)s1
InChIInChI=1S/C21H19N3S/c1-14-21(25-15(2)22-14)20-13-19(23-24-20)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3,(H,23,24)
InChIKeyBRJXQFKKCOUCJK-UHFFFAOYSA-N
XLogP5.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.47
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dimethyl-5-{3-[(1r)-1-Phenylethyl]-1h-Pyrazol-5-Yl}-1,3-Thiazole
CID 121595982
4-methyl-2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole
CID 1480004
2,4-Dimethyl-5-[3-(2-Phenylpropan-2-Yl)-1h-Pyrazol-5-Yl]-1,3-Thiazole
CID 121595983
CID 15944745
CID 15944745
2,4-dimethyl-5-[5-(1-phenylcyclopropyl)-1H-pyrazol-3-yl]-1,3-thiazole
CID 162656746
2,4-dimethyl-5-[5-(1-phenylethyl)-1H-pyrazol-3-yl]-1,3-thiazole
CID 162657792
4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole
CID 45588555
4-(4-Tert-butylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
CID 2370269
4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole
CID 46889102
5-[[3-(3,4-Difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole
CID 56751406
2,4-dimethyl-5-[5-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazol-3-yl]-1,3-thiazole
CID 132941094
5-(5-benzyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole
CID 162648415

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[5-[(4-phenylphenyl)methyl]-1H-pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[5-[(4-phenylphenyl)methyl]-1H-pyrazol-3-yl]-1,3-thiazole (CID 162663076) is 2,4-dimethyl-5-[5-[(4-phenylphenyl)methyl]-1H-pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[5-[(4-phenylphenyl)methyl]-1H-pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[5-[(4-phenylphenyl)methyl]-1H-pyrazol-3-yl]-1,3-thiazole is Cc1nc(C)c(-c2cc(Cc3ccc(-c4ccccc4)cc3)[nH]n2)s1.
What is the InChIKey of 2,4-dimethyl-5-[5-[(4-phenylphenyl)methyl]-1H-pyrazol-3-yl]-1,3-thiazole?
The InChIKey is BRJXQFKKCOUCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3S/c1-14-21(25-15(2)22-14)20-13-19(23-24-20)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3,(H,23,24).
What are the key properties of 2,4-dimethyl-5-[5-[(4-phenylphenyl)methyl]-1H-pyrazol-3-yl]-1,3-thiazole?
2,4-dimethyl-5-[5-[(4-phenylphenyl)methyl]-1H-pyrazol-3-yl]-1,3-thiazole has a molecular weight of 345.47 g/mol, XLogP of 5.41, 4 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-[(4-phenylphenyl)methyl]-1H-pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 162663076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).