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

C11H20N4O — CID 82852042

IUPAC5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide
SMILESCC(N)CCCC(=O)NCc1ccnn1C
InChIInChI=1S/C11H20N4O/c1-9(12)4-3-5-11(16)13-8-10-6-7-14-15(10)2/h6-7,9H,3-5,8,12H2,1-2H3,(H,13,16)
InChIKeyAGGIXIBEKVZABY-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.55
Rot. Bonds6

About 5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide

5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide (PubChem CID 82852042) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide.

Molecular Properties

Compound Name5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide
PubChem CID82852042
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide
SMILESCC(N)CCCC(=O)NCc1ccnn1C
InChIInChI=1S/C11H20N4O/c1-9(12)4-3-5-11(16)13-8-10-6-7-14-15(10)2/h6-7,9H,3-5,8,12H2,1-2H3,(H,13,16)
InChIKeyAGGIXIBEKVZABY-UHFFFAOYSA-N
XLogP0.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
CID 106416804
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579
5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid
CID 82848263
N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyacetamide
CID 47414086
5-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310
3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 64678263
5-amino-N-[(1-methylpyrrol-3-yl)methyl]hexanamide
CID 106390854
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 63303724
2-(4-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63304660
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302481
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide;hydrochloride
CID 119727683

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide?
The IUPAC name of 5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide (CID 82852042) is 5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide.
What is the SMILES notation for 5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide?
The canonical SMILES for 5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide is CC(N)CCCC(=O)NCc1ccnn1C.
What is the InChIKey of 5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide?
The InChIKey is AGGIXIBEKVZABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(12)4-3-5-11(16)13-8-10-6-7-14-15(10)2/h6-7,9H,3-5,8,12H2,1-2H3,(H,13,16).
What are the key properties of 5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide?
5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide has a molecular weight of 224.31 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide is sourced from PubChem (CID 82852042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).