2-[[3-ethyl-1-(2-methoxyphenyl)-4-(4-methoxy-1,3-thiazol-2-yl)pyrazol-5-yl]amino]-5-methylbenzoic acid

C24H24N4O4S — CID 11641251

IUPAC2-[[3-ethyl-1-(2-methoxyphenyl)-4-(4-methoxy-1,3-thiazol-2-yl)pyrazol-5-yl]amino]-5-methylbenzoic acid
SMILESCCc1nn(-c2ccccc2OC)c(Nc2ccc(C)cc2C(=O)O)c1-c1nc(OC)cs1
InChIInChI=1S/C24H24N4O4S/c1-5-16-21(23-26-20(32-4)13-33-23)22(25-17-11-10-14(2)12-15(17)24(29)30)28(27-16)18-8-6-7-9-19(18)31-3/h6-13,25H,5H2,1-4H3,(H,29,30)
InChIKeyHVLYAIBIXYUHJE-UHFFFAOYSA-N
MW464.55 g/mol
LogP5.33
Rot. Bonds8

About 2-[[3-ethyl-1-(2-methoxyphenyl)-4-(4-methoxy-1,3-thiazol-2-yl)pyrazol-5-yl]amino]-5-methylbenzoic acid

2-[[3-ethyl-1-(2-methoxyphenyl)-4-(4-methoxy-1,3-thiazol-2-yl)pyrazol-5-yl]amino]-5-methylbenzoic acid (PubChem CID 11641251) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 2-[[3-ethyl-1-(2-methoxyphenyl)-4-(4-methoxy-1,3-thiazol-2-yl)pyrazol-5-yl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[3-ethyl-1-(2-methoxyphenyl)-4-(4-methoxy-1,3-thiazol-2-yl)pyrazol-5-yl]amino]-5-methylbenzoic acid
PubChem CID11641251
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name2-[[3-ethyl-1-(2-methoxyphenyl)-4-(4-methoxy-1,3-thiazol-2-yl)pyrazol-5-yl]amino]-5-methylbenzoic acid
SMILESCCc1nn(-c2ccccc2OC)c(Nc2ccc(C)cc2C(=O)O)c1-c1nc(OC)cs1
InChIInChI=1S/C24H24N4O4S/c1-5-16-21(23-26-20(32-4)13-33-23)22(25-17-11-10-14(2)12-15(17)24(29)30)28(27-16)18-8-6-7-9-19(18)31-3/h6-13,25H,5H2,1-4H3,(H,29,30)
InChIKeyHVLYAIBIXYUHJE-UHFFFAOYSA-N
XLogP5.33
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.55
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[3-ethyl-1-(2-methoxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]amino]-5-methoxybenzoic acid
CID 11532787
2-[[3-ethyl-4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-5-methylbenzoic acid
CID 11605378
2-[[3-ethyl-1-(2-methylphenyl)-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]amino]-5-methoxybenzoic acid
CID 11554168
5-chloro-2-[[3-ethyl-1-(2-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrazol-5-yl]amino]benzoic acid
CID 59649907
2-[[3-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-5-methylbenzoic acid
CID 154060064
5-amino-3-ethyl-1-(2-methoxyphenyl)pyrazole-4-carbonitrile;2-chloro-N,N-dimethylacetamide;diethoxy-bis(sulfanyl)phosphanium;2-(1-ethoxypropylidene)propanedinitrile;methane;methyl 2-[[4-carbamothioyl-3-ethyl-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-5-methylbenzoate;methyl 2-[[4-cyano-3-ethyl-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-5-methylbenzoate;methyl 2-[[3-ethyl-1-(2-methoxyphenyl)-4-(4-methoxy-1,3-thiazol-2-yl)pyrazol-5-yl]amino]-5-methylbenzoate;propanedinitrile;1,1,1-triethoxypropane
CID 160792654
methyl 2-[[4-carbamothioyl-3-ethyl-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-5-methoxybenzoate
CID 59649845
5-methoxy-2-[[3-methyl-1-(2-methylphenyl)-4-(5-methylthiophen-3-yl)pyrazol-5-yl]amino]benzoic acid
CID 59649790
2-[[1-(2-ethylphenyl)-3-methyl-4-quinoxalin-6-ylpyrazol-5-yl]amino]-5-methoxybenzoic acid
CID 46176000
2-[[1-(3,6-dimethylpyrazin-2-yl)-3-ethyl-4-(6-fluoro-3-pyridinyl)pyrazol-5-yl]amino]-5-methylbenzoic acid
CID 71211724
2-[[4-(5-acetylthiophen-3-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-5-methoxybenzoic acid
CID 59649844
2-[[4-(1H-indazol-5-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-5-methoxybenzoic acid
CID 46175998

Frequently Asked Questions

What is the IUPAC name of 2-[[3-ethyl-1-(2-methoxyphenyl)-4-(4-methoxy-1,3-thiazol-2-yl)pyrazol-5-yl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[3-ethyl-1-(2-methoxyphenyl)-4-(4-methoxy-1,3-thiazol-2-yl)pyrazol-5-yl]amino]-5-methylbenzoic acid (CID 11641251) is 2-[[3-ethyl-1-(2-methoxyphenyl)-4-(4-methoxy-1,3-thiazol-2-yl)pyrazol-5-yl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[3-ethyl-1-(2-methoxyphenyl)-4-(4-methoxy-1,3-thiazol-2-yl)pyrazol-5-yl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[3-ethyl-1-(2-methoxyphenyl)-4-(4-methoxy-1,3-thiazol-2-yl)pyrazol-5-yl]amino]-5-methylbenzoic acid is CCc1nn(-c2ccccc2OC)c(Nc2ccc(C)cc2C(=O)O)c1-c1nc(OC)cs1.
What is the InChIKey of 2-[[3-ethyl-1-(2-methoxyphenyl)-4-(4-methoxy-1,3-thiazol-2-yl)pyrazol-5-yl]amino]-5-methylbenzoic acid?
The InChIKey is HVLYAIBIXYUHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-5-16-21(23-26-20(32-4)13-33-23)22(25-17-11-10-14(2)12-15(17)24(29)30)28(27-16)18-8-6-7-9-19(18)31-3/h6-13,25H,5H2,1-4H3,(H,29,30).
What are the key properties of 2-[[3-ethyl-1-(2-methoxyphenyl)-4-(4-methoxy-1,3-thiazol-2-yl)pyrazol-5-yl]amino]-5-methylbenzoic acid?
2-[[3-ethyl-1-(2-methoxyphenyl)-4-(4-methoxy-1,3-thiazol-2-yl)pyrazol-5-yl]amino]-5-methylbenzoic acid has a molecular weight of 464.55 g/mol, XLogP of 5.33, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-ethyl-1-(2-methoxyphenyl)-4-(4-methoxy-1,3-thiazol-2-yl)pyrazol-5-yl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 11641251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).