1-(2-chlorophenyl)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine

C16H22ClN3 — CID 82692543

IUPAC1-(2-chlorophenyl)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine
SMILESCCc1cc(CC)n(C(c2ccccc2Cl)C(C)N)n1
InChIInChI=1S/C16H22ClN3/c1-4-12-10-13(5-2)20(19-12)16(11(3)18)14-8-6-7-9-15(14)17/h6-11,16H,4-5,18H2,1-3H3
InChIKeyJRIZHKSKKRVQLA-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.60
Rot. Bonds5

About 1-(2-chlorophenyl)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine

1-(2-chlorophenyl)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine (PubChem CID 82692543) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine
PubChem CID82692543
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name1-(2-chlorophenyl)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine
SMILESCCc1cc(CC)n(C(c2ccccc2Cl)C(C)N)n1
InChIInChI=1S/C16H22ClN3/c1-4-12-10-13(5-2)20(19-12)16(11(3)18)14-8-6-7-9-15(14)17/h6-11,16H,4-5,18H2,1-3H3
InChIKeyJRIZHKSKKRVQLA-UHFFFAOYSA-N
XLogP3.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-diethylpyrazol-1-yl)-1-pyridin-2-ylpropan-2-amine
CID 82693461
1-(3,5-diethylpyrazol-1-yl)-1-(3-fluorophenyl)propan-2-amine
CID 82692322
1-(2-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 55022520
1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine
CID 82694023
(1S)-1-(2-chlorophenyl)-N-[(1,3-diethylpyrazol-5-yl)methyl]ethanamine
CID 81378307
3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol
CID 82693019
2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 79448466
(1R)-1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanol
CID 82694027
1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine
CID 82699665
(1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine
CID 82694547
(2R)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine
CID 103934891
(2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid
CID 107427777

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine (CID 82692543) is 1-(2-chlorophenyl)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine is CCc1cc(CC)n(C(c2ccccc2Cl)C(C)N)n1.
What is the InChIKey of 1-(2-chlorophenyl)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine?
The InChIKey is JRIZHKSKKRVQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-4-12-10-13(5-2)20(19-12)16(11(3)18)14-8-6-7-9-15(14)17/h6-11,16H,4-5,18H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine?
1-(2-chlorophenyl)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine has a molecular weight of 291.83 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine is sourced from PubChem (CID 82692543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).