methyl 4-methyl-2-[(1-methylpyrazole-3-carbonyl)amino]hexanoate

C13H21N3O3 — CID 126835294

IUPACmethyl 4-methyl-2-[(1-methylpyrazole-3-carbonyl)amino]hexanoate
SMILESCCC(C)CC(NC(=O)c1ccn(C)n1)C(=O)OC
InChIInChI=1S/C13H21N3O3/c1-5-9(2)8-11(13(18)19-4)14-12(17)10-6-7-16(3)15-10/h6-7,9,11H,5,8H2,1-4H3,(H,14,17)
InChIKeyCELJOUSPEPJFFC-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.13
Rot. Bonds6

About methyl 4-methyl-2-[(1-methylpyrazole-3-carbonyl)amino]hexanoate

methyl 4-methyl-2-[(1-methylpyrazole-3-carbonyl)amino]hexanoate (PubChem CID 126835294) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 4-methyl-2-[(1-methylpyrazole-3-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(1-methylpyrazole-3-carbonyl)amino]hexanoate
PubChem CID126835294
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 4-methyl-2-[(1-methylpyrazole-3-carbonyl)amino]hexanoate
SMILESCCC(C)CC(NC(=O)c1ccn(C)n1)C(=O)OC
InChIInChI=1S/C13H21N3O3/c1-5-9(2)8-11(13(18)19-4)14-12(17)10-6-7-16(3)15-10/h6-7,9,11H,5,8H2,1-4H3,(H,14,17)
InChIKeyCELJOUSPEPJFFC-UHFFFAOYSA-N
XLogP1.13
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(1-methylpyrazole-3-carbonyl)amino]hexanoate?
The IUPAC name of methyl 4-methyl-2-[(1-methylpyrazole-3-carbonyl)amino]hexanoate (CID 126835294) is methyl 4-methyl-2-[(1-methylpyrazole-3-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 4-methyl-2-[(1-methylpyrazole-3-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 4-methyl-2-[(1-methylpyrazole-3-carbonyl)amino]hexanoate is CCC(C)CC(NC(=O)c1ccn(C)n1)C(=O)OC.
What is the InChIKey of methyl 4-methyl-2-[(1-methylpyrazole-3-carbonyl)amino]hexanoate?
The InChIKey is CELJOUSPEPJFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-9(2)8-11(13(18)19-4)14-12(17)10-6-7-16(3)15-10/h6-7,9,11H,5,8H2,1-4H3,(H,14,17).
What are the key properties of methyl 4-methyl-2-[(1-methylpyrazole-3-carbonyl)amino]hexanoate?
methyl 4-methyl-2-[(1-methylpyrazole-3-carbonyl)amino]hexanoate has a molecular weight of 267.33 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(1-methylpyrazole-3-carbonyl)amino]hexanoate is sourced from PubChem (CID 126835294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).