1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine

C12H22ClN3 — CID 105035109

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine
SMILESCCC(CC)C(N)Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C12H22ClN3/c1-5-9(6-2)11(14)7-10-8(3)15-16(4)12(10)13/h9,11H,5-7,14H2,1-4H3
InChIKeyMBGXLHTUEPASSK-UHFFFAOYSA-N
MW243.78 g/mol
LogP2.69
Rot. Bonds5

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine (PubChem CID 105035109) has the molecular formula C12H22ClN3 and a molecular weight of 243.78 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine
PubChem CID105035109
Molecular FormulaC12H22ClN3
Molecular Weight243.78 g/mol
Exact Mass243.15
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine
SMILESCCC(CC)C(N)Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C12H22ClN3/c1-5-9(6-2)11(14)7-10-8(3)15-16(4)12(10)13/h9,11H,5-7,14H2,1-4H3
InChIKeyMBGXLHTUEPASSK-UHFFFAOYSA-N
XLogP2.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine
CID 103517071
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-N-methylpentan-2-amine
CID 105035069
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 113470301
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine
CID 113470210
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethoxypentan-2-ol
CID 116711010
1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine
CID 105245830
1-(4-aminophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 106695531
1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 105035202
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105180396
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 105180408
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
CID 116760899
4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one
CID 116555894

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine (CID 105035109) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine is CCC(CC)C(N)Cc1c(C)nn(C)c1Cl.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine?
The InChIKey is MBGXLHTUEPASSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3/c1-5-9(6-2)11(14)7-10-8(3)15-16(4)12(10)13/h9,11H,5-7,14H2,1-4H3.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine has a molecular weight of 243.78 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine is sourced from PubChem (CID 105035109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).