1-ethyl-3-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrazole

C17H23N3O — CID 91838829

IUPAC1-ethyl-3-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrazole
SMILESCCn1ccc(CN2CCCC2c2ccccc2OC)n1
InChIInChI=1S/C17H23N3O/c1-3-20-12-10-14(18-20)13-19-11-6-8-16(19)15-7-4-5-9-17(15)21-2/h4-5,7,9-10,12,16H,3,6,8,11,13H2,1-2H3
InChIKeyLNRDKDPEMAXHDI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.25
Rot. Bonds5

About 1-ethyl-3-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrazole

1-ethyl-3-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrazole (PubChem CID 91838829) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-ethyl-3-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrazole.

Molecular Properties

Compound Name1-ethyl-3-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrazole
PubChem CID91838829
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-ethyl-3-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrazole
SMILESCCn1ccc(CN2CCCC2c2ccccc2OC)n1
InChIInChI=1S/C17H23N3O/c1-3-20-12-10-14(18-20)13-19-11-6-8-16(19)15-7-4-5-9-17(15)21-2/h4-5,7,9-10,12,16H,3,6,8,11,13H2,1-2H3
InChIKeyLNRDKDPEMAXHDI-UHFFFAOYSA-N
XLogP3.25
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine
CID 91835201
3-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole
CID 47084712
2-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 51657078
2-(2-methoxyphenyl)-1-propylpiperidine
CID 102544278
1-[(3S)-3-(2-methoxyphenyl)-4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 124954167
(2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine
CID 124500769
(2R)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine
CID 124500768
(2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine
CID 124500714
2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 26391215
2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92612141
2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine
CID 120753605
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrazole?
The IUPAC name of 1-ethyl-3-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrazole (CID 91838829) is 1-ethyl-3-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrazole.
What is the SMILES notation for 1-ethyl-3-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrazole?
The canonical SMILES for 1-ethyl-3-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrazole is CCn1ccc(CN2CCCC2c2ccccc2OC)n1.
What is the InChIKey of 1-ethyl-3-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrazole?
The InChIKey is LNRDKDPEMAXHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-20-12-10-14(18-20)13-19-11-6-8-16(19)15-7-4-5-9-17(15)21-2/h4-5,7,9-10,12,16H,3,6,8,11,13H2,1-2H3.
What are the key properties of 1-ethyl-3-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrazole?
1-ethyl-3-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrazole has a molecular weight of 285.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrazole is sourced from PubChem (CID 91838829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).