3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1-dimethoxypropan-2-amine

C13H24ClN3O2 — CID 79492047

IUPAC3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1-dimethoxypropan-2-amine
SMILESCCNC(Cc1c(Cl)c(C)nn1CC)C(OC)OC
InChIInChI=1S/C13H24ClN3O2/c1-6-15-10(13(18-4)19-5)8-11-12(14)9(3)16-17(11)7-2/h10,13,15H,6-8H2,1-5H3
InChIKeyKLTUVSCCLWGBOU-UHFFFAOYSA-N
MW289.81 g/mol
LogP2.00
Rot. Bonds8

About 3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1-dimethoxypropan-2-amine

3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1-dimethoxypropan-2-amine (PubChem CID 79492047) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1-dimethoxypropan-2-amine.

Molecular Properties

Compound Name3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1-dimethoxypropan-2-amine
PubChem CID79492047
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC Name3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1-dimethoxypropan-2-amine
SMILESCCNC(Cc1c(Cl)c(C)nn1CC)C(OC)OC
InChIInChI=1S/C13H24ClN3O2/c1-6-15-10(13(18-4)19-5)8-11-12(14)9(3)16-17(11)7-2/h10,13,15H,6-8H2,1-5H3
InChIKeyKLTUVSCCLWGBOU-UHFFFAOYSA-N
XLogP2.00
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 104998740
3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-methylpropan-2-amine
CID 79492035
[3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine
CID 105264979
[3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 105246172
4-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine
CID 81015787
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-diethoxypropan-2-amine
CID 79495382
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 104998879
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 103149566
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724766
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213762
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propoxypropan-2-yl]hydrazine
CID 105209898
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol
CID 66060491

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1-dimethoxypropan-2-amine?
The IUPAC name of 3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1-dimethoxypropan-2-amine (CID 79492047) is 3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1-dimethoxypropan-2-amine.
What is the SMILES notation for 3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1-dimethoxypropan-2-amine?
The canonical SMILES for 3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1-dimethoxypropan-2-amine is CCNC(Cc1c(Cl)c(C)nn1CC)C(OC)OC.
What is the InChIKey of 3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1-dimethoxypropan-2-amine?
The InChIKey is KLTUVSCCLWGBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3O2/c1-6-15-10(13(18-4)19-5)8-11-12(14)9(3)16-17(11)7-2/h10,13,15H,6-8H2,1-5H3.
What are the key properties of 3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1-dimethoxypropan-2-amine?
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1-dimethoxypropan-2-amine has a molecular weight of 289.81 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1-dimethoxypropan-2-amine is sourced from PubChem (CID 79492047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).