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

C17H17N3S — CID 162656746

IUPAC2,4-dimethyl-5-[5-(1-phenylcyclopropyl)-1H-pyrazol-3-yl]-1,3-thiazole
SMILESCc1nc(C)c(-c2cc(C3(c4ccccc4)CC3)[nH]n2)s1
InChIInChI=1S/C17H17N3S/c1-11-16(21-12(2)18-11)14-10-15(20-19-14)17(8-9-17)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,19,20)
InChIKeyXBWPVPSRHCERLN-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.23
Rot. Bonds3

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

2,4-dimethyl-5-[5-(1-phenylcyclopropyl)-1H-pyrazol-3-yl]-1,3-thiazole (PubChem CID 162656746) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2,4-dimethyl-5-[5-(1-phenylcyclopropyl)-1H-pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[5-(1-phenylcyclopropyl)-1H-pyrazol-3-yl]-1,3-thiazole
PubChem CID162656746
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name2,4-dimethyl-5-[5-(1-phenylcyclopropyl)-1H-pyrazol-3-yl]-1,3-thiazole
SMILESCc1nc(C)c(-c2cc(C3(c4ccccc4)CC3)[nH]n2)s1
InChIInChI=1S/C17H17N3S/c1-11-16(21-12(2)18-11)14-10-15(20-19-14)17(8-9-17)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,19,20)
InChIKeyXBWPVPSRHCERLN-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.23
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
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
2,4-dimethyl-5-[5-[(1S)-1-phenylethyl]-1H-pyrazol-3-yl]-1,3-thiazole
CID 162652955
2,4-dimethyl-5-[5-[(4-phenylphenyl)methyl]-1H-pyrazol-3-yl]-1,3-thiazole
CID 162663076

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[5-(1-phenylcyclopropyl)-1H-pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[5-(1-phenylcyclopropyl)-1H-pyrazol-3-yl]-1,3-thiazole (CID 162656746) is 2,4-dimethyl-5-[5-(1-phenylcyclopropyl)-1H-pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[5-(1-phenylcyclopropyl)-1H-pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[5-(1-phenylcyclopropyl)-1H-pyrazol-3-yl]-1,3-thiazole is Cc1nc(C)c(-c2cc(C3(c4ccccc4)CC3)[nH]n2)s1.
What is the InChIKey of 2,4-dimethyl-5-[5-(1-phenylcyclopropyl)-1H-pyrazol-3-yl]-1,3-thiazole?
The InChIKey is XBWPVPSRHCERLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-11-16(21-12(2)18-11)14-10-15(20-19-14)17(8-9-17)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2,4-dimethyl-5-[5-(1-phenylcyclopropyl)-1H-pyrazol-3-yl]-1,3-thiazole?
2,4-dimethyl-5-[5-(1-phenylcyclopropyl)-1H-pyrazol-3-yl]-1,3-thiazole has a molecular weight of 295.41 g/mol, XLogP of 4.23, 3 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-(1-phenylcyclopropyl)-1H-pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 162656746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).