2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide

C12H22N4O — CID 103006809

IUPAC2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide
SMILESCCCCC(N)C(=O)NCCc1ccnn1C
InChIInChI=1S/C12H22N4O/c1-3-4-5-11(13)12(17)14-8-6-10-7-9-15-16(10)2/h7,9,11H,3-6,8,13H2,1-2H3,(H,14,17)
InChIKeyQMIGGQYCEVWQEM-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.60
Rot. Bonds7

About 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide

2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide (PubChem CID 103006809) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide
PubChem CID103006809
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide
SMILESCCCCC(N)C(=O)NCCc1ccnn1C
InChIInChI=1S/C12H22N4O/c1-3-4-5-11(13)12(17)14-8-6-10-7-9-15-16(10)2/h7,9,11H,3-6,8,13H2,1-2H3,(H,14,17)
InChIKeyQMIGGQYCEVWQEM-UHFFFAOYSA-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-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide
CID 103006628
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide
CID 103006482
2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide
CID 103007035
2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide
CID 80682285
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine
CID 104695096
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493
3-amino-3-hydroxyimino-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103010114
2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302394
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
CID 103008072
6-[2-(2-methylpyrazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 103004649

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide?
The IUPAC name of 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide (CID 103006809) is 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide.
What is the SMILES notation for 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide?
The canonical SMILES for 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide is CCCCC(N)C(=O)NCCc1ccnn1C.
What is the InChIKey of 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide?
The InChIKey is QMIGGQYCEVWQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-4-5-11(13)12(17)14-8-6-10-7-9-15-16(10)2/h7,9,11H,3-6,8,13H2,1-2H3,(H,14,17).
What are the key properties of 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide?
2-amino-N-[2-(2-methylpyrazol-3-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 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide is sourced from PubChem (CID 103006809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).