1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-methylpropan-1-ol

C13H24ClN3O2 — CID 114645722

IUPAC1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-methylpropan-1-ol
SMILESCCOC(C)(C)C(O)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C13H24ClN3O2/c1-6-19-13(2,3)12(18)11-10(14)9-15-17(11)8-7-16(4)5/h9,12,18H,6-8H2,1-5H3
InChIKeyHKYNKFOOJGTIRZ-UHFFFAOYSA-N
MW289.81 g/mol
LogP1.95
Rot. Bonds7

About 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-methylpropan-1-ol

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-methylpropan-1-ol (PubChem CID 114645722) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-methylpropan-1-ol
PubChem CID114645722
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-methylpropan-1-ol
SMILESCCOC(C)(C)C(O)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C13H24ClN3O2/c1-6-19-13(2,3)12(18)11-10(14)9-15-17(11)8-7-16(4)5/h9,12,18H,6-8H2,1-5H3
InChIKeyHKYNKFOOJGTIRZ-UHFFFAOYSA-N
XLogP1.95
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]-3,3-dimethylbutan-1-ol
CID 114635725
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxyacetic acid
CID 114636529
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 114657422
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methoxypropan-1-ol
CID 114644699
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methoxypentan-1-ol
CID 114645623
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 114656737
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115834273
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxypyridazin-3-yl)methanol
CID 103373434
2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105235309
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol
CID 115834359
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropyl-2-ethoxyethanamine
CID 114661350

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-methylpropan-1-ol?
The IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-methylpropan-1-ol (CID 114645722) is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-methylpropan-1-ol.
What is the SMILES notation for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-methylpropan-1-ol?
The canonical SMILES for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-methylpropan-1-ol is CCOC(C)(C)C(O)c1c(Cl)cnn1CCN(C)C.
What is the InChIKey of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-methylpropan-1-ol?
The InChIKey is HKYNKFOOJGTIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3O2/c1-6-19-13(2,3)12(18)11-10(14)9-15-17(11)8-7-16(4)5/h9,12,18H,6-8H2,1-5H3.
What are the key properties of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-methylpropan-1-ol?
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-methylpropan-1-ol has a molecular weight of 289.81 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-methylpropan-1-ol is sourced from PubChem (CID 114645722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).