(2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide

C12H22N4O — CID 103831501

IUPAC(2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCCc1cnn(C)c1
InChIInChI=1S/C12H22N4O/c1-3-4-5-11(13)12(17)14-7-6-10-8-15-16(2)9-10/h8-9,11H,3-7,13H2,1-2H3,(H,14,17)/t11-/m0/s1
InChIKeyRCYWJXUCBZCMNK-NSHDSACASA-N
MW238.33 g/mol
LogP0.60
Rot. Bonds7

About (2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide

(2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide (PubChem CID 103831501) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide
PubChem CID103831501
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name(2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCCc1cnn(C)c1
InChIInChI=1S/C12H22N4O/c1-3-4-5-11(13)12(17)14-7-6-10-8-15-16(2)9-10/h8-9,11H,3-7,13H2,1-2H3,(H,14,17)/t11-/m0/s1
InChIKeyRCYWJXUCBZCMNK-NSHDSACASA-N
XLogP0.60
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide
CID 80682285
methyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]hexanoate
CID 103258279
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate
CID 103002910
ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate
CID 80689128
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide
CID 103006809
(2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide
CID 93368050
2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 61349106
2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide
CID 80682163
ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]pentanoate
CID 83040611
2-methyl-4-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 80689654
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 80686901

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide (CID 103831501) is (2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide is CCCC[C@H](N)C(=O)NCCc1cnn(C)c1.
What is the InChIKey of (2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide?
The InChIKey is RCYWJXUCBZCMNK-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-4-5-11(13)12(17)14-7-6-10-8-15-16(2)9-10/h8-9,11H,3-7,13H2,1-2H3,(H,14,17)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide?
(2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide has a molecular weight of 238.33 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide is sourced from PubChem (CID 103831501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).