(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]hexanamide

C12H22N4O — CID 95341559

IUPAC(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]hexanamide
SMILESCCCC[C@H](NCCn1cc(C)cn1)C(N)=O
InChIInChI=1S/C12H22N4O/c1-3-4-5-11(12(13)17)14-6-7-16-9-10(2)8-15-16/h8-9,11,14H,3-7H2,1-2H3,(H2,13,17)/t11-/m0/s1
InChIKeyKAXRXUOROPIVON-NSHDSACASA-N
MW238.33 g/mol
LogP0.83
Rot. Bonds8

About (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]hexanamide

(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]hexanamide (PubChem CID 95341559) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]hexanamide.

Molecular Properties

Compound Name(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]hexanamide
PubChem CID95341559
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]hexanamide
SMILESCCCC[C@H](NCCn1cc(C)cn1)C(N)=O
InChIInChI=1S/C12H22N4O/c1-3-4-5-11(12(13)17)14-6-7-16-9-10(2)8-15-16/h8-9,11,14H,3-7H2,1-2H3,(H2,13,17)/t11-/m0/s1
InChIKeyKAXRXUOROPIVON-NSHDSACASA-N
XLogP0.83
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]hexanamide?
The IUPAC name of (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]hexanamide (CID 95341559) is (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]hexanamide.
What is the SMILES notation for (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]hexanamide?
The canonical SMILES for (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]hexanamide is CCCC[C@H](NCCn1cc(C)cn1)C(N)=O.
What is the InChIKey of (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]hexanamide?
The InChIKey is KAXRXUOROPIVON-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-4-5-11(12(13)17)14-6-7-16-9-10(2)8-15-16/h8-9,11,14H,3-7H2,1-2H3,(H2,13,17)/t11-/m0/s1.
What are the key properties of (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]hexanamide?
(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]hexanamide has a molecular weight of 238.33 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]hexanamide is sourced from PubChem (CID 95341559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).