[2-benzyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]methanol

C18H25N3O — CID 167747505

IUPAC[2-benzyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]methanol
SMILESCn1nccc1CCN1CCCC1(CO)Cc1ccccc1
InChIInChI=1S/C18H25N3O/c1-20-17(8-11-19-20)9-13-21-12-5-10-18(21,15-22)14-16-6-3-2-4-7-16/h2-4,6-8,11,22H,5,9-10,12-15H2,1H3
InChIKeyUCTJTUKNWKXAFK-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.03
Rot. Bonds6

About [2-benzyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]methanol

[2-benzyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]methanol (PubChem CID 167747505) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is [2-benzyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[2-benzyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]methanol
PubChem CID167747505
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name[2-benzyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]methanol
SMILESCn1nccc1CCN1CCCC1(CO)Cc1ccccc1
InChIInChI=1S/C18H25N3O/c1-20-17(8-11-19-20)9-13-21-12-5-10-18(21,15-22)14-16-6-3-2-4-7-16/h2-4,6-8,11,22H,5,9-10,12-15H2,1H3
InChIKeyUCTJTUKNWKXAFK-UHFFFAOYSA-N
XLogP2.03
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,2-dibenzylazocan-2-yl)methanol
CID 102289051
5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole
CID 103018381
1-(1-benzylcyclopentyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 75521844
1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid
CID 103005051
1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine
CID 103007506
[3-(2-methylpyrazol-3-yl)-1-(1-phenylcyclopropyl)propyl]hydrazine
CID 103025969
1-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-diazinan-2-one
CID 103012757
2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103006430
[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methanol
CID 104694713
2-[2-(2-methylpyrazol-3-yl)ethyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 103015506
N-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide
CID 136533373
ethane;(2-methylpyrazol-3-yl)methanol
CID 144625468

Frequently Asked Questions

What is the IUPAC name of [2-benzyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [2-benzyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]methanol (CID 167747505) is [2-benzyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [2-benzyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [2-benzyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]methanol is Cn1nccc1CCN1CCCC1(CO)Cc1ccccc1.
What is the InChIKey of [2-benzyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]methanol?
The InChIKey is UCTJTUKNWKXAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-20-17(8-11-19-20)9-13-21-12-5-10-18(21,15-22)14-16-6-3-2-4-7-16/h2-4,6-8,11,22H,5,9-10,12-15H2,1H3.
What are the key properties of [2-benzyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]methanol?
[2-benzyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]methanol has a molecular weight of 299.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167747505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).