5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid

C13H21N3O3 — CID 65492256

IUPAC5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid
SMILESCC(C)CC(CNC(=O)c1cnn(C)c1)CC(=O)O
InChIInChI=1S/C13H21N3O3/c1-9(2)4-10(5-12(17)18)6-14-13(19)11-7-15-16(3)8-11/h7-10H,4-6H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyMOIVTMGEWGWSDA-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.29
Rot. Bonds7

About 5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid

5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid (PubChem CID 65492256) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid.

Molecular Properties

Compound Name5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid
PubChem CID65492256
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid
SMILESCC(C)CC(CNC(=O)c1cnn(C)c1)CC(=O)O
InChIInChI=1S/C13H21N3O3/c1-9(2)4-10(5-12(17)18)6-14-13(19)11-7-15-16(3)8-11/h7-10H,4-6H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyMOIVTMGEWGWSDA-UHFFFAOYSA-N
XLogP1.29
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid?
The IUPAC name of 5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid (CID 65492256) is 5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid.
What is the SMILES notation for 5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid?
The canonical SMILES for 5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid is CC(C)CC(CNC(=O)c1cnn(C)c1)CC(=O)O.
What is the InChIKey of 5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid?
The InChIKey is MOIVTMGEWGWSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)4-10(5-12(17)18)6-14-13(19)11-7-15-16(3)8-11/h7-10H,4-6H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid?
5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid is sourced from PubChem (CID 65492256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).