2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol

C19H20N2O3 — CID 135832308

IUPAC2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol
SMILESCCCOc1ccc(-c2[nH]ncc2-c2ccccc2OC)c(O)c1
InChIInChI=1S/C19H20N2O3/c1-3-10-24-13-8-9-15(17(22)11-13)19-16(12-20-21-19)14-6-4-5-7-18(14)23-2/h4-9,11-12,22H,3,10H2,1-2H3,(H,20,21)
InChIKeyDKTXWCFZVOVNCM-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.25
Rot. Bonds6

About 2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol

2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol (PubChem CID 135832308) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol
PubChem CID135832308
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol
SMILESCCCOc1ccc(-c2[nH]ncc2-c2ccccc2OC)c(O)c1
InChIInChI=1S/C19H20N2O3/c1-3-10-24-13-8-9-15(17(22)11-13)19-16(12-20-21-19)14-6-4-5-7-18(14)23-2/h4-9,11-12,22H,3,10H2,1-2H3,(H,20,21)
InChIKeyDKTXWCFZVOVNCM-UHFFFAOYSA-N
XLogP4.25
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 135713335
2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 663570
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol
CID 135765783
2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol
CID 1414748
5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol
CID 764663
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol
CID 135796160
5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol
CID 1387328
5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 945537
4-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 174686401
5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135651484
5-(2-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 174686402
3-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]aniline
CID 73335294

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol?
The IUPAC name of 2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol (CID 135832308) is 2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol?
The canonical SMILES for 2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol is CCCOc1ccc(-c2[nH]ncc2-c2ccccc2OC)c(O)c1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol?
The InChIKey is DKTXWCFZVOVNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-10-24-13-8-9-15(17(22)11-13)19-16(12-20-21-19)14-6-4-5-7-18(14)23-2/h4-9,11-12,22H,3,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol?
2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol has a molecular weight of 324.38 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol is sourced from PubChem (CID 135832308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).