2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-morpholin-4-ylethoxy)phenol

C23H27N3O4 — CID 135656441

IUPAC2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-morpholin-4-ylethoxy)phenol
SMILESCOc1ccc(-c2c(-c3ccc(OCCN4CCOCC4)cc3O)n[nH]c2C)cc1
InChIInChI=1S/C23H27N3O4/c1-16-22(17-3-5-18(28-2)6-4-17)23(25-24-16)20-8-7-19(15-21(20)27)30-14-11-26-9-12-29-13-10-26/h3-8,15,27H,9-14H2,1-2H3,(H,24,25)
InChIKeyNIPGIHSVDXHMBO-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.48
Rot. Bonds7

About 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-morpholin-4-ylethoxy)phenol

2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-morpholin-4-ylethoxy)phenol (PubChem CID 135656441) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-morpholin-4-ylethoxy)phenol.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-morpholin-4-ylethoxy)phenol
PubChem CID135656441
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-morpholin-4-ylethoxy)phenol
SMILESCOc1ccc(-c2c(-c3ccc(OCCN4CCOCC4)cc3O)n[nH]c2C)cc1
InChIInChI=1S/C23H27N3O4/c1-16-22(17-3-5-18(28-2)6-4-17)23(25-24-16)20-8-7-19(15-21(20)27)30-14-11-26-9-12-29-13-10-26/h3-8,15,27H,9-14H2,1-2H3,(H,24,25)
InChIKeyNIPGIHSVDXHMBO-UHFFFAOYSA-N
XLogP3.48
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
CID 2022938
2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenol
CID 137228389
5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol
CID 137228385
4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
CID 888681
2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazol-3-yl]-3-hydroxyphenoxy]acetic acid
CID 4184413
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol
CID 175208942
3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile
CID 22480066
4-[2-[(2-methyl-1-benzofuran-6-yl)oxy]ethyl]morpholine
CID 143026753
6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 117094011
7-(4-hydroxyphenyl)-8-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6-dihydronaphthalen-2-ol
CID 155535063

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-morpholin-4-ylethoxy)phenol?
The IUPAC name of 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-morpholin-4-ylethoxy)phenol (CID 135656441) is 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-morpholin-4-ylethoxy)phenol.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-morpholin-4-ylethoxy)phenol?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-morpholin-4-ylethoxy)phenol is COc1ccc(-c2c(-c3ccc(OCCN4CCOCC4)cc3O)n[nH]c2C)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-morpholin-4-ylethoxy)phenol?
The InChIKey is NIPGIHSVDXHMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-16-22(17-3-5-18(28-2)6-4-17)23(25-24-16)20-8-7-19(15-21(20)27)30-14-11-26-9-12-29-13-10-26/h3-8,15,27H,9-14H2,1-2H3,(H,24,25).
What are the key properties of 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-morpholin-4-ylethoxy)phenol?
2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-morpholin-4-ylethoxy)phenol has a molecular weight of 409.49 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-morpholin-4-ylethoxy)phenol is sourced from PubChem (CID 135656441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).