4-ethyl-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol

C23H23N3O2S — CID 135703825

IUPAC4-ethyl-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
SMILESCCc1cc(-c2n[nH]c(C)c2-c2nc(C)cs2)c(O)cc1OCc1ccccc1
InChIInChI=1S/C23H23N3O2S/c1-4-17-10-18(19(27)11-20(17)28-12-16-8-6-5-7-9-16)22-21(15(3)25-26-22)23-24-14(2)13-29-23/h5-11,13,27H,4,12H2,1-3H3,(H,25,26)
InChIKeyNMSCMZPLDFMTMW-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.66
Rot. Bonds6

About 4-ethyl-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol

4-ethyl-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol (PubChem CID 135703825) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-ethyl-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol.

Molecular Properties

Compound Name4-ethyl-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
PubChem CID135703825
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name4-ethyl-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
SMILESCCc1cc(-c2n[nH]c(C)c2-c2nc(C)cs2)c(O)cc1OCc1ccccc1
InChIInChI=1S/C23H23N3O2S/c1-4-17-10-18(19(27)11-20(17)28-12-16-8-6-5-7-9-16)22-21(15(3)25-26-22)23-24-14(2)13-29-23/h5-11,13,27H,4,12H2,1-3H3,(H,25,26)
InChIKeyNMSCMZPLDFMTMW-UHFFFAOYSA-N
XLogP5.66
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-5-methoxy-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]phenol
CID 854960
2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
CID 2022938
2-[2-ethyl-5-hydroxy-4-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-5-yl]phenoxy]propanoic acid
CID 135700192
4-ethyl-2-[4-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol
CID 2368510
2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-4-methyl-1,3-thiazole
CID 143320499
6-ethyl-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-7-[(4-nitrophenyl)methoxy]chromen-4-one
CID 2228227
1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5-phenylmethoxy-6-pyridin-4-ylpyridin-2-one
CID 18315853
ethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 24773533
2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline
CID 94758930
ethyl 2-[2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 59786325
8-(4-methyl-1,3-thiazol-2-yl)-10-phenylmethoxy-5H-pyrido[3,4-a]indolizin-7-one
CID 57264116
3-(5-chloro-2-phenylmethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazole
CID 58913658

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol?
The IUPAC name of 4-ethyl-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol (CID 135703825) is 4-ethyl-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol.
What is the SMILES notation for 4-ethyl-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol?
The canonical SMILES for 4-ethyl-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol is CCc1cc(-c2n[nH]c(C)c2-c2nc(C)cs2)c(O)cc1OCc1ccccc1.
What is the InChIKey of 4-ethyl-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol?
The InChIKey is NMSCMZPLDFMTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-4-17-10-18(19(27)11-20(17)28-12-16-8-6-5-7-9-16)22-21(15(3)25-26-22)23-24-14(2)13-29-23/h5-11,13,27H,4,12H2,1-3H3,(H,25,26).
What are the key properties of 4-ethyl-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol?
4-ethyl-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol has a molecular weight of 405.52 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol is sourced from PubChem (CID 135703825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).