3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol

C12H20BrN3O — CID 111116526

IUPAC3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CCn1cc(Br)cn1
InChIInChI=1S/C12H20BrN3O/c13-11-9-14-16(10-11)7-6-15-5-1-3-12(15)4-2-8-17/h9-10,12,17H,1-8H2
InChIKeyHCDGBDQIMRJZHQ-UHFFFAOYSA-N
MW302.22 g/mol
LogP1.88
Rot. Bonds6

About 3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 111116526) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID111116526
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CCn1cc(Br)cn1
InChIInChI=1S/C12H20BrN3O/c13-11-9-14-16(10-11)7-6-15-5-1-3-12(15)4-2-8-17/h9-10,12,17H,1-8H2
InChIKeyHCDGBDQIMRJZHQ-UHFFFAOYSA-N
XLogP1.88
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 63316143
1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]triazole-4-carbohydrazide
CID 63571534
1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol
CID 62619008
3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 80601823
3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 82892128
3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 63873222
[1-[2-(4-aminopyrazol-1-yl)ethyl]azepan-2-yl]methanol
CID 116634203
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
1-(3-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62612826
[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanol
CID 111442682
2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine
CID 62566245
3-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 79673427

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol (CID 111116526) is 3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1CCn1cc(Br)cn1.
What is the InChIKey of 3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is HCDGBDQIMRJZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c13-11-9-14-16(10-11)7-6-15-5-1-3-12(15)4-2-8-17/h9-10,12,17H,1-8H2.
What are the key properties of 3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 302.22 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 111116526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).