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

C13H11N3O2S — CID 728350

IUPAC5-methoxy-2-[4-(1,3-thiazol-4-yl)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2[nH]ncc2-c2cscn2)c(O)c1
InChIInChI=1S/C13H11N3O2S/c1-18-8-2-3-9(12(17)4-8)13-10(5-15-16-13)11-6-19-7-14-11/h2-7,17H,1H3,(H,15,16)
InChIKeyGKWZJPNBVLSHSV-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.91
Rot. Bonds3

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

5-methoxy-2-[4-(1,3-thiazol-4-yl)-1H-pyrazol-5-yl]phenol (PubChem CID 728350) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-methoxy-2-[4-(1,3-thiazol-4-yl)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[4-(1,3-thiazol-4-yl)-1H-pyrazol-5-yl]phenol
PubChem CID728350
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name5-methoxy-2-[4-(1,3-thiazol-4-yl)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2[nH]ncc2-c2cscn2)c(O)c1
InChIInChI=1S/C13H11N3O2S/c1-18-8-2-3-9(12(17)4-8)13-10(5-15-16-13)11-6-19-7-14-11/h2-7,17H,1H3,(H,15,16)
InChIKeyGKWZJPNBVLSHSV-UHFFFAOYSA-N
XLogP2.91
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[4-(1,3-thiazol-4-yl)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 5-methoxy-2-[4-(1,3-thiazol-4-yl)-1H-pyrazol-5-yl]phenol (CID 728350) is 5-methoxy-2-[4-(1,3-thiazol-4-yl)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[4-(1,3-thiazol-4-yl)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 5-methoxy-2-[4-(1,3-thiazol-4-yl)-1H-pyrazol-5-yl]phenol is COc1ccc(-c2[nH]ncc2-c2cscn2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[4-(1,3-thiazol-4-yl)-1H-pyrazol-5-yl]phenol?
The InChIKey is GKWZJPNBVLSHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-18-8-2-3-9(12(17)4-8)13-10(5-15-16-13)11-6-19-7-14-11/h2-7,17H,1H3,(H,15,16).
What are the key properties of 5-methoxy-2-[4-(1,3-thiazol-4-yl)-1H-pyrazol-5-yl]phenol?
5-methoxy-2-[4-(1,3-thiazol-4-yl)-1H-pyrazol-5-yl]phenol has a molecular weight of 273.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[4-(1,3-thiazol-4-yl)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 728350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).