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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Related Compounds

1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide
CID 43050213
(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 28742395
1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide
CID 103512630
N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 39554190
2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 106107325
3-[[(4-aminobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65493934
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide
CID 61247345
1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide
CID 86981269
N-[2-(2-chloroethyl)pentyl]-1-methylpyrazole-4-carboxamide
CID 106117785
(3S)-3-[[(3,4-dimethylbenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65494092
5-methyl-3-[(thiadiazole-5-carbonylamino)methyl]hexanoic acid
CID 65493699
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103723314

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).