1-methyl-5-[2-[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyrazole

C23H33N3O — CID 162430455

IUPAC1-methyl-5-[2-[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyrazole
SMILESCn1nccc1C(C)(C)N1CCC(CCc2ccccc2)(C2CCCO2)C1
InChIInChI=1S/C23H33N3O/c1-22(2,20-12-15-24-25(20)3)26-16-14-23(18-26,21-10-7-17-27-21)13-11-19-8-5-4-6-9-19/h4-6,8-9,12,15,21H,7,10-11,13-14,16-18H2,1-3H3
InChIKeyPHGVTAYICAASBB-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.16
Rot. Bonds6

About 1-methyl-5-[2-[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyrazole

1-methyl-5-[2-[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyrazole (PubChem CID 162430455) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-methyl-5-[2-[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyrazole.

Molecular Properties

Compound Name1-methyl-5-[2-[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyrazole
PubChem CID162430455
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name1-methyl-5-[2-[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyrazole
SMILESCn1nccc1C(C)(C)N1CCC(CCc2ccccc2)(C2CCCO2)C1
InChIInChI=1S/C23H33N3O/c1-22(2,20-12-15-24-25(20)3)26-16-14-23(18-26,21-10-7-17-27-21)13-11-19-8-5-4-6-9-19/h4-6,8-9,12,15,21H,7,10-11,13-14,16-18H2,1-3H3
InChIKeyPHGVTAYICAASBB-UHFFFAOYSA-N
XLogP4.16
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-5-[2-[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-[2-[(3R)-3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine
CID 175820841
2-methyl-5-[2-[(3S)-3-[(2S)-oxolan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine
CID 175845814
4-[(2S)-oxolan-2-yl]-4-(2-phenylethyl)piperidine-1-carboxylic acid
CID 135330064
N-[4-[[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 135323234
N-[4-[[4-[(2S)-oxetan-2-yl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 135329983
2-methyl-5-[[(3R)-3-[(2R)-oxolan-2-yl]-3-(2-thiophen-3-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 135322967
2-methyl-5-[[(3R)-3-[(2S)-oxolan-2-yl]-3-(2-thiophen-3-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 142429956
(3S)-1-tert-butyl-N,N-dimethyl-3-(2-phenylethyl)piperidin-3-amine
CID 171771140
dimethyl-(oxolan-2-yl)-(2-phenylethyl)silane
CID 13268601
1-[4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-3-phenylpropan-1-one
CID 131648583
[2-benzyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]methanol
CID 167747505
[1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 45171513

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyrazole?
The IUPAC name of 1-methyl-5-[2-[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyrazole (CID 162430455) is 1-methyl-5-[2-[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyrazole.
What is the SMILES notation for 1-methyl-5-[2-[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyrazole?
The canonical SMILES for 1-methyl-5-[2-[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyrazole is Cn1nccc1C(C)(C)N1CCC(CCc2ccccc2)(C2CCCO2)C1.
What is the InChIKey of 1-methyl-5-[2-[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyrazole?
The InChIKey is PHGVTAYICAASBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-22(2,20-12-15-24-25(20)3)26-16-14-23(18-26,21-10-7-17-27-21)13-11-19-8-5-4-6-9-19/h4-6,8-9,12,15,21H,7,10-11,13-14,16-18H2,1-3H3.
What are the key properties of 1-methyl-5-[2-[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyrazole?
1-methyl-5-[2-[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyrazole has a molecular weight of 367.54 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyrazole is sourced from PubChem (CID 162430455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).