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

C17H19N3O2S — CID 854960

IUPAC4-ethyl-5-methoxy-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]phenol
SMILESCCc1cc(-c2n[nH]c(C)c2-c2nc(C)cs2)c(O)cc1OC
InChIInChI=1S/C17H19N3O2S/c1-5-11-6-12(13(21)7-14(11)22-4)16-15(10(3)19-20-16)17-18-9(2)8-23-17/h6-8,21H,5H2,1-4H3,(H,19,20)
InChIKeyUXWVYYGJCPIHGC-UHFFFAOYSA-N
MW329.43 g/mol
LogP4.09
Rot. Bonds4

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

4-ethyl-5-methoxy-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]phenol (PubChem CID 854960) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-ethyl-5-methoxy-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-ethyl-5-methoxy-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]phenol
PubChem CID854960
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name4-ethyl-5-methoxy-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]phenol
SMILESCCc1cc(-c2n[nH]c(C)c2-c2nc(C)cs2)c(O)cc1OC
InChIInChI=1S/C17H19N3O2S/c1-5-11-6-12(13(21)7-14(11)22-4)16-15(10(3)19-20-16)17-18-9(2)8-23-17/h6-8,21H,5H2,1-4H3,(H,19,20)
InChIKeyUXWVYYGJCPIHGC-UHFFFAOYSA-N
XLogP4.09
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methoxy-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-ethyl-5-methoxy-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]phenol (CID 854960) is 4-ethyl-5-methoxy-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-ethyl-5-methoxy-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-ethyl-5-methoxy-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]phenol is CCc1cc(-c2n[nH]c(C)c2-c2nc(C)cs2)c(O)cc1OC.
What is the InChIKey of 4-ethyl-5-methoxy-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]phenol?
The InChIKey is UXWVYYGJCPIHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-5-11-6-12(13(21)7-14(11)22-4)16-15(10(3)19-20-16)17-18-9(2)8-23-17/h6-8,21H,5H2,1-4H3,(H,19,20).
What are the key properties of 4-ethyl-5-methoxy-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]phenol?
4-ethyl-5-methoxy-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]phenol has a molecular weight of 329.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methoxy-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 854960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).