3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-methylpiperidin-3-ol

C13H23BrN4O — CID 114637451

IUPAC3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-methylpiperidin-3-ol
SMILESCN(C)CCn1ncc(Br)c1C1(O)CCCN(C)C1
InChIInChI=1S/C13H23BrN4O/c1-16(2)7-8-18-12(11(14)9-15-18)13(19)5-4-6-17(3)10-13/h9,19H,4-8,10H2,1-3H3
InChIKeySDLGMFNARXAPFU-UHFFFAOYSA-N
MW331.26 g/mol
LogP1.12
Rot. Bonds4

About 3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-methylpiperidin-3-ol

3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-methylpiperidin-3-ol (PubChem CID 114637451) has the molecular formula C13H23BrN4O and a molecular weight of 331.26 g/mol. Its IUPAC name is 3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-methylpiperidin-3-ol
PubChem CID114637451
Molecular FormulaC13H23BrN4O
Molecular Weight331.26 g/mol
Exact Mass330.11
IUPAC Name3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-methylpiperidin-3-ol
SMILESCN(C)CCn1ncc(Br)c1C1(O)CCCN(C)C1
InChIInChI=1S/C13H23BrN4O/c1-16(2)7-8-18-12(11(14)9-15-18)13(19)5-4-6-17(3)10-13/h9,19H,4-8,10H2,1-3H3
InChIKeySDLGMFNARXAPFU-UHFFFAOYSA-N
XLogP1.12
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4,4-dimethylcyclohexan-1-ol
CID 114635932
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-propan-2-ylcyclobutan-1-ol
CID 103564281
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]cycloheptan-1-ol
CID 114633263
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,4-dimethylcyclohexan-1-ol
CID 114636069
2-[4-bromo-5-(2-methylazepan-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114657327
2-[4-bromo-5-(3-bromo-1-methylcyclopentyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114665738
2-[4-bromo-5-(2-propylpyrrolidin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114656453
(1-aminocyclopropyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114669527
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpyrrolidin-3-ol
CID 114633883
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(1-methylcyclopentyl)methanone
CID 115804119
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4-methylcycloheptan-1-ol
CID 114636258
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(1-methoxycyclopentyl)methanol
CID 114645500

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-methylpiperidin-3-ol?
The IUPAC name of 3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-methylpiperidin-3-ol (CID 114637451) is 3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-methylpiperidin-3-ol.
What is the SMILES notation for 3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-methylpiperidin-3-ol?
The canonical SMILES for 3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-methylpiperidin-3-ol is CN(C)CCn1ncc(Br)c1C1(O)CCCN(C)C1.
What is the InChIKey of 3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-methylpiperidin-3-ol?
The InChIKey is SDLGMFNARXAPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN4O/c1-16(2)7-8-18-12(11(14)9-15-18)13(19)5-4-6-17(3)10-13/h9,19H,4-8,10H2,1-3H3.
What are the key properties of 3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-methylpiperidin-3-ol?
3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-methylpiperidin-3-ol has a molecular weight of 331.26 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-methylpiperidin-3-ol is sourced from PubChem (CID 114637451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).