4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole

C25H27N5S — CID 90507613

IUPAC4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
SMILESCc1nn(-c2ccccc2)c(C)c1N1CCN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C25H27N5S/c1-19-24(20(2)30(27-19)23-11-7-4-8-12-23)29-15-13-28(14-16-29)17-22-18-31-25(26-22)21-9-5-3-6-10-21/h3-12,18H,13-17H2,1-2H3
InChIKeyCWOJXUZRHYIDPH-UHFFFAOYSA-N
MW429.59 g/mol
LogP4.93
Rot. Bonds5

About 4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole

4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole (PubChem CID 90507613) has the molecular formula C25H27N5S and a molecular weight of 429.59 g/mol. Its IUPAC name is 4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
PubChem CID90507613
Molecular FormulaC25H27N5S
Molecular Weight429.59 g/mol
Exact Mass429.20
IUPAC Name4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
SMILESCc1nn(-c2ccccc2)c(C)c1N1CCN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C25H27N5S/c1-19-24(20(2)30(27-19)23-11-7-4-8-12-23)29-15-13-28(14-16-29)17-22-18-31-25(26-22)21-9-5-3-6-10-21/h3-12,18H,13-17H2,1-2H3
InChIKeyCWOJXUZRHYIDPH-UHFFFAOYSA-N
XLogP4.93
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole with MolForge

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Related Compounds

1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine
CID 90507607
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazine
CID 90507603
3-methyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]aniline
CID 58107329
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine
CID 90507602
1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
CID 90507605
2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole
CID 22198373
4-[[4-(2-methoxy-6-methylphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809759
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 4826311
2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 60501855
4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole
CID 22199471
2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 8725468
2-(3-methoxyphenyl)-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 33458433

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole (CID 90507613) is 4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole is Cc1nn(-c2ccccc2)c(C)c1N1CCN(Cc2csc(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole?
The InChIKey is CWOJXUZRHYIDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5S/c1-19-24(20(2)30(27-19)23-11-7-4-8-12-23)29-15-13-28(14-16-29)17-22-18-31-25(26-22)21-9-5-3-6-10-21/h3-12,18H,13-17H2,1-2H3.
What are the key properties of 4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole?
4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole has a molecular weight of 429.59 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 90507613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).