(1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine

C15H21N3 — CID 82694547

IUPAC(1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine
SMILESCCc1cc(CC)n(-c2ccc([C@@H](C)N)cc2)n1
InChIInChI=1S/C15H21N3/c1-4-13-10-14(5-2)18(17-13)15-8-6-12(7-9-15)11(3)16/h6-11H,4-5,16H2,1-3H3/t11-/m1/s1
InChIKeyMKPBBMRRXDFLJB-LLVKDONJSA-N
MW243.35 g/mol
LogP3.02
Rot. Bonds4

About (1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine

(1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine (PubChem CID 82694547) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine
PubChem CID82694547
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine
SMILESCCc1cc(CC)n(-c2ccc([C@@H](C)N)cc2)n1
InChIInChI=1S/C15H21N3/c1-4-13-10-14(5-2)18(17-13)15-8-6-12(7-9-15)11(3)16/h6-11H,4-5,16H2,1-3H3/t11-/m1/s1
InChIKeyMKPBBMRRXDFLJB-LLVKDONJSA-N
XLogP3.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 82695072
4-(3,5-diethylpyrazol-1-yl)pyridine
CID 82700412
4-(3,5-diethylpyrazol-1-yl)-2-methylaniline
CID 82693662
1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine
CID 82694023
(1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 79025613
[1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine
CID 115041268
1-[4-(3,5-diethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine
CID 82699660
1-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]ethanamine
CID 61348071
1-[3-(3,5-diethylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 82694896
(2R)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine
CID 103934891
2-bromo-4-(3,5-diethylpyrazol-1-yl)benzamide
CID 107282940
[2-bromo-4-(3,5-diethylpyrazol-1-yl)phenyl]methanol
CID 114060384

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine (CID 82694547) is (1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine is CCc1cc(CC)n(-c2ccc([C@@H](C)N)cc2)n1.
What is the InChIKey of (1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine?
The InChIKey is MKPBBMRRXDFLJB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-13-10-14(5-2)18(17-13)15-8-6-12(7-9-15)11(3)16/h6-11H,4-5,16H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine?
(1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 82694547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).