1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propan-2-yloxyethanamine

C12H22ClN3O — CID 105183622

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCNC(COC(C)C)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C12H22ClN3O/c1-8(2)16-12(10(13)6-15-16)11(14-5)7-17-9(3)4/h6,8-9,11,14H,7H2,1-5H3
InChIKeyAIAFTHMLLVGSRU-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.80
Rot. Bonds6

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propan-2-yloxyethanamine

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propan-2-yloxyethanamine (PubChem CID 105183622) has the molecular formula C12H22ClN3O and a molecular weight of 259.78 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propan-2-yloxyethanamine
PubChem CID105183622
Molecular FormulaC12H22ClN3O
Molecular Weight259.78 g/mol
Exact Mass259.15
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCNC(COC(C)C)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C12H22ClN3O/c1-8(2)16-12(10(13)6-15-16)11(14-5)7-17-9(3)4/h6,8-9,11,14H,7H2,1-5H3
InChIKeyAIAFTHMLLVGSRU-UHFFFAOYSA-N
XLogP2.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105183643
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
CID 114649102
2-(2-chlorophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
CID 114649031
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105183735
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635180
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 114648285
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 114655530
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine
CID 105336873
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propan-2-ylpentan-1-amine
CID 114657485
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclopentyl-N-ethylethanamine
CID 105041674
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine
CID 103169565
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine
CID 114657470

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propan-2-yloxyethanamine (CID 105183622) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propan-2-yloxyethanamine is CNC(COC(C)C)c1c(Cl)cnn1C(C)C.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propan-2-yloxyethanamine?
The InChIKey is AIAFTHMLLVGSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3O/c1-8(2)16-12(10(13)6-15-16)11(14-5)7-17-9(3)4/h6,8-9,11,14H,7H2,1-5H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propan-2-yloxyethanamine?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propan-2-yloxyethanamine has a molecular weight of 259.78 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 105183622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).