[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

C27H29N5O2S — CID 46510457

IUPAC[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N2CCN(Cc3csc(C)n3)CC2)c1
InChIInChI=1S/C27H29N5O2S/c1-19-7-9-23(10-8-19)32-17-25(26(29-32)21-5-4-6-24(15-21)34-3)27(33)31-13-11-30(12-14-31)16-22-18-35-20(2)28-22/h4-10,15,17-18H,11-14,16H2,1-3H3
InChIKeyTVBQXLOCERBZAZ-UHFFFAOYSA-N
MW487.63 g/mol
LogP4.58
Rot. Bonds6

About [3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 46510457) has the molecular formula C27H29N5O2S and a molecular weight of 487.63 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID46510457
Molecular FormulaC27H29N5O2S
Molecular Weight487.63 g/mol
Exact Mass487.20
IUPAC Name[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N2CCN(Cc3csc(C)n3)CC2)c1
InChIInChI=1S/C27H29N5O2S/c1-19-7-9-23(10-8-19)32-17-25(26(29-32)21-5-4-6-24(15-21)34-3)27(33)31-13-11-30(12-14-31)16-22-18-35-20(2)28-22/h4-10,15,17-18H,11-14,16H2,1-3H3
InChIKeyTVBQXLOCERBZAZ-UHFFFAOYSA-N
XLogP4.58
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
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[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
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1,4-diazepan-1-yl-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone
CID 119417182
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43002761
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone
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(1,3-diphenylpyrazol-4-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
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N,N-diethyl-4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide
CID 24598452
(3-methylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 38470610
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Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (CID 46510457) is [3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N2CCN(Cc3csc(C)n3)CC2)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is TVBQXLOCERBZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2S/c1-19-7-9-23(10-8-19)32-17-25(26(29-32)21-5-4-6-24(15-21)34-3)27(33)31-13-11-30(12-14-31)16-22-18-35-20(2)28-22/h4-10,15,17-18H,11-14,16H2,1-3H3.
What are the key properties of [3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 487.63 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 46510457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).