[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-piperidin-3-ylmethanol

C13H23ClN4O — CID 114637159

IUPAC[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-piperidin-3-ylmethanol
SMILESCN(C)CCn1ncc(Cl)c1C(O)C1CCCNC1
InChIInChI=1S/C13H23ClN4O/c1-17(2)6-7-18-12(11(14)9-16-18)13(19)10-4-3-5-15-8-10/h9-10,13,15,19H,3-8H2,1-2H3
InChIKeyXQMGFQUJCZCIGQ-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.13
Rot. Bonds5

About [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-piperidin-3-ylmethanol

[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-piperidin-3-ylmethanol (PubChem CID 114637159) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-piperidin-3-ylmethanol.

Molecular Properties

Compound Name[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-piperidin-3-ylmethanol
PubChem CID114637159
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-piperidin-3-ylmethanol
SMILESCN(C)CCn1ncc(Cl)c1C(O)C1CCCNC1
InChIInChI=1S/C13H23ClN4O/c1-17(2)6-7-18-12(11(14)9-16-18)13(19)10-4-3-5-15-8-10/h9-10,13,15,19H,3-8H2,1-2H3
InChIKeyXQMGFQUJCZCIGQ-UHFFFAOYSA-N
XLogP1.13
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
CID 115834227
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(thiolan-3-yl)methanol
CID 105127294
2-[4-bromo-5-[fluoro(piperidin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114667798
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115834273
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-piperidin-3-ylethanone
CID 114668929
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol
CID 115834359
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol
CID 114643672
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethylpropan-1-ol
CID 114635694
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine
CID 105038978
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxyacetic acid
CID 114636529
2-(4-chloro-5-piperidin-2-ylpyrazol-1-yl)-N,N-dimethylethanamine
CID 114663137
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol
CID 114664997

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-piperidin-3-ylmethanol?
The IUPAC name of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-piperidin-3-ylmethanol (CID 114637159) is [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-piperidin-3-ylmethanol.
What is the SMILES notation for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-piperidin-3-ylmethanol?
The canonical SMILES for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-piperidin-3-ylmethanol is CN(C)CCn1ncc(Cl)c1C(O)C1CCCNC1.
What is the InChIKey of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-piperidin-3-ylmethanol?
The InChIKey is XQMGFQUJCZCIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O/c1-17(2)6-7-18-12(11(14)9-16-18)13(19)10-4-3-5-15-8-10/h9-10,13,15,19H,3-8H2,1-2H3.
What are the key properties of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-piperidin-3-ylmethanol?
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-piperidin-3-ylmethanol has a molecular weight of 286.81 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-piperidin-3-ylmethanol is sourced from PubChem (CID 114637159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).