1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one

C23H25N3O3 — CID 158605330

IUPAC1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1cccc(CC2CCN(c3ccc(-c4cn[nH]c4)c(C(C)O)c3)C2=O)c1
InChIInChI=1S/C23H25N3O3/c1-15(27)22-12-19(6-7-21(22)18-13-24-25-14-18)26-9-8-17(23(26)28)10-16-4-3-5-20(11-16)29-2/h3-7,11-15,17,27H,8-10H2,1-2H3,(H,24,25)
InChIKeyHWDNKMWXKCWZFF-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.73
Rot. Bonds6

About 1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one

1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 158605330) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID158605330
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1cccc(CC2CCN(c3ccc(-c4cn[nH]c4)c(C(C)O)c3)C2=O)c1
InChIInChI=1S/C23H25N3O3/c1-15(27)22-12-19(6-7-21(22)18-13-24-25-14-18)26-9-8-17(23(26)28)10-16-4-3-5-20(11-16)29-2/h3-7,11-15,17,27H,8-10H2,1-2H3,(H,24,25)
InChIKeyHWDNKMWXKCWZFF-UHFFFAOYSA-N
XLogP3.73
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118238909
1-[3-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 157443084
1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidin-2-one
CID 158702947
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118239100
1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 161203994
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 118238979
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(3-methoxyanilino)pyrrolidin-2-one
CID 122515789
3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide
CID 148515048
1-[(3-methoxyphenyl)methyl]-3-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
CID 122671609
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(5-methoxy-2,3-dihydroindol-1-yl)pyrrolidin-2-one
CID 134254296
4-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]-1,4-diazepan-2-one
CID 146585182
1-[5-(2-aminopyrimidin-4-yl)-6-methyl-2-pyridinyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 159937082

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one (CID 158605330) is 1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one is COc1cccc(CC2CCN(c3ccc(-c4cn[nH]c4)c(C(C)O)c3)C2=O)c1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is HWDNKMWXKCWZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15(27)22-12-19(6-7-21(22)18-13-24-25-14-18)26-9-8-17(23(26)28)10-16-4-3-5-20(11-16)29-2/h3-7,11-15,17,27H,8-10H2,1-2H3,(H,24,25).
What are the key properties of 1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one?
1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 391.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 158605330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).