methyl 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]hexanoate

C13H21N3O3 — CID 113225419

IUPACmethyl 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cc(C)n(C)n1
InChIInChI=1S/C13H21N3O3/c1-10-9-11(15-16(10)2)13(18)14-8-6-4-5-7-12(17)19-3/h9H,4-8H2,1-3H3,(H,14,18)
InChIKeySYJKDQIYXUPOIN-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.19
Rot. Bonds7

About methyl 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]hexanoate

methyl 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]hexanoate (PubChem CID 113225419) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]hexanoate
PubChem CID113225419
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cc(C)n(C)n1
InChIInChI=1S/C13H21N3O3/c1-10-9-11(15-16(10)2)13(18)14-8-6-4-5-7-12(17)19-3/h9H,4-8H2,1-3H3,(H,14,18)
InChIKeySYJKDQIYXUPOIN-UHFFFAOYSA-N
XLogP1.19
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279762
4-[(1,5-dimethylpyrazole-3-carbonyl)amino]butanoyl chloride
CID 19279626
methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate
CID 86848865
N-(3-hydroxy-4-methoxybutyl)-1,5-dimethylpyrazole-3-carboxamide
CID 113343557
methyl 6-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]hexanoate
CID 51085909
methyl 6-(2H-triazole-4-carbonylamino)hexanoate
CID 47336093
N-(5-amino-5-sulfanylidenepentyl)-5-methoxy-1-methylpyrazole-3-carboxamide
CID 114255059
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118
ethyl 1-methyl-3-(octadecylcarbamoyl)pyrazole-5-carboxylate
CID 19266999
methyl 4-[(1-methyltriazole-4-carbonyl)amino]butanoate
CID 110461887
3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498431
3-[5-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19491969

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]hexanoate?
The IUPAC name of methyl 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]hexanoate (CID 113225419) is methyl 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1cc(C)n(C)n1.
What is the InChIKey of methyl 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]hexanoate?
The InChIKey is SYJKDQIYXUPOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10-9-11(15-16(10)2)13(18)14-8-6-4-5-7-12(17)19-3/h9H,4-8H2,1-3H3,(H,14,18).
What are the key properties of methyl 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]hexanoate?
methyl 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]hexanoate has a molecular weight of 267.33 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]hexanoate is sourced from PubChem (CID 113225419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).