[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol

C12H21N3O — CID 66058384

IUPAC[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCCn1nc(C)cc1CC1(CO)CCNC1
InChIInChI=1S/C12H21N3O/c1-3-15-11(6-10(2)14-15)7-12(9-16)4-5-13-8-12/h6,13,16H,3-5,7-9H2,1-2H3
InChIKeyUCPOFEIBPCZEAI-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.73
Rot. Bonds4

About [3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol

[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 66058384) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID66058384
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCCn1nc(C)cc1CC1(CO)CCNC1
InChIInChI=1S/C12H21N3O/c1-3-15-11(6-10(2)14-15)7-12(9-16)4-5-13-8-12/h6,13,16H,3-5,7-9H2,1-2H3
InChIKeyUCPOFEIBPCZEAI-UHFFFAOYSA-N
XLogP0.73
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-3-yl]methanol
CID 66058530
[4-[(1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66025190
5-[[1-(chloromethyl)cyclopentyl]methyl]-1-ethyl-3-methylpyrazole
CID 66034904
[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 66060514
3-ethyl-4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114510495
[3-[(3,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 66058599
[3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 66059014
N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024464
1-(6-azaspiro[2.5]octan-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 116573207
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperazine
CID 25248518
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569789
[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,1-dioxothiolan-3-yl]methanamine
CID 115337795

Frequently Asked Questions

What is the IUPAC name of [3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol (CID 66058384) is [3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol is CCn1nc(C)cc1CC1(CO)CCNC1.
What is the InChIKey of [3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is UCPOFEIBPCZEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-15-11(6-10(2)14-15)7-12(9-16)4-5-13-8-12/h6,13,16H,3-5,7-9H2,1-2H3.
What are the key properties of [3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol?
[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 223.32 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 66058384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).