2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]cyclohexan-1-ol

C12H18BrN3O — CID 126901597

IUPAC2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]cyclohexan-1-ol
SMILESOC1CCCCC1N1CC(n2cc(Br)cn2)C1
InChIInChI=1S/C12H18BrN3O/c13-9-5-14-16(6-9)10-7-15(8-10)11-3-1-2-4-12(11)17/h5-6,10-12,17H,1-4,7-8H2
InChIKeyDOIVXDBBBWOQBT-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.81
Rot. Bonds2

About 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]cyclohexan-1-ol

2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]cyclohexan-1-ol (PubChem CID 126901597) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]cyclohexan-1-ol
PubChem CID126901597
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]cyclohexan-1-ol
SMILESOC1CCCCC1N1CC(n2cc(Br)cn2)C1
InChIInChI=1S/C12H18BrN3O/c13-9-5-14-16(6-9)10-7-15(8-10)11-3-1-2-4-12(11)17/h5-6,10-12,17H,1-4,7-8H2
InChIKeyDOIVXDBBBWOQBT-UHFFFAOYSA-N
XLogP1.81
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-pyrazol-1-ylazetidin-1-yl)cyclopentan-1-ol
CID 126900433
1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine
CID 126901314
4-(4-bromopyrazol-1-yl)-1-methylpiperidine
CID 59599418
1-[2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]ethyl]azepan-2-one
CID 126947041
4-(4-bromopyrazol-1-yl)oxolan-3-ol
CID 130503201
2-(4-bromopyrazol-1-yl)cyclopentan-1-amine;hydrochloride
CID 167994610
4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid
CID 67027237
2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole
CID 126901538
(3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol
CID 115278432
2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine
CID 126947069
7-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-1-methylazepan-2-one
CID 126901389
trans-(1S,2S)-2-(4-chloropyrazol-1-yl)cyclohexan-1-ol
CID 102732380

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]cyclohexan-1-ol (CID 126901597) is 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]cyclohexan-1-ol is OC1CCCCC1N1CC(n2cc(Br)cn2)C1.
What is the InChIKey of 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]cyclohexan-1-ol?
The InChIKey is DOIVXDBBBWOQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c13-9-5-14-16(6-9)10-7-15(8-10)11-3-1-2-4-12(11)17/h5-6,10-12,17H,1-4,7-8H2.
What are the key properties of 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]cyclohexan-1-ol?
2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]cyclohexan-1-ol has a molecular weight of 300.20 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 126901597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).