1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol

C18H25N3O3 — CID 167793030

IUPAC1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
SMILESCOCCn1cc(CN2CC(O)CC2c2cccc(OC)c2)cn1
InChIInChI=1S/C18H25N3O3/c1-23-7-6-21-12-14(10-19-21)11-20-13-16(22)9-18(20)15-4-3-5-17(8-15)24-2/h3-5,8,10,12,16,18,22H,6-7,9,11,13H2,1-2H3
InChIKeyVWRVOGXIZLZSII-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.85
Rot. Bonds7

About 1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol

1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol (PubChem CID 167793030) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
PubChem CID167793030
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
SMILESCOCCn1cc(CN2CC(O)CC2c2cccc(OC)c2)cn1
InChIInChI=1S/C18H25N3O3/c1-23-7-6-21-12-14(10-19-21)11-20-13-16(22)9-18(20)15-4-3-5-17(8-15)24-2/h3-5,8,10,12,16,18,22H,6-7,9,11,13H2,1-2H3
InChIKeyVWRVOGXIZLZSII-UHFFFAOYSA-N
XLogP1.85
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-fluorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 128975913
5-(3-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol
CID 128964288
(3R,5S)-1-[[4-(hydroxymethyl)phenyl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100737617
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 129350021
(3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol
CID 100736446
4-[[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122033957
(3S,5R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481070
(3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481356
(3S,5S)-5-(3-methoxyphenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol
CID 100736655
(3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481177
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-ol
CID 129481109
(3R,5R)-1-[(1-methylpyrazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129471270

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The IUPAC name of 1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol (CID 167793030) is 1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol is COCCn1cc(CN2CC(O)CC2c2cccc(OC)c2)cn1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The InChIKey is VWRVOGXIZLZSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-23-7-6-21-12-14(10-19-21)11-20-13-16(22)9-18(20)15-4-3-5-17(8-15)24-2/h3-5,8,10,12,16,18,22H,6-7,9,11,13H2,1-2H3.
What are the key properties of 1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol?
1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol has a molecular weight of 331.42 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 167793030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).