2-ethyl-2-(methylamino)-5-pyrazol-1-ylpentanoic acid

C11H19N3O2 — CID 106806593

IUPAC2-ethyl-2-(methylamino)-5-pyrazol-1-ylpentanoic acid
SMILESCCC(CCCn1cccn1)(NC)C(=O)O
InChIInChI=1S/C11H19N3O2/c1-3-11(12-2,10(15)16)6-4-8-14-9-5-7-13-14/h5,7,9,12H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeyOVXMIHKMLWLEBZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.12
Rot. Bonds7

About 2-ethyl-2-(methylamino)-5-pyrazol-1-ylpentanoic acid

2-ethyl-2-(methylamino)-5-pyrazol-1-ylpentanoic acid (PubChem CID 106806593) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-pyrazol-1-ylpentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-pyrazol-1-ylpentanoic acid
PubChem CID106806593
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-ethyl-2-(methylamino)-5-pyrazol-1-ylpentanoic acid
SMILESCCC(CCCn1cccn1)(NC)C(=O)O
InChIInChI=1S/C11H19N3O2/c1-3-11(12-2,10(15)16)6-4-8-14-9-5-7-13-14/h5,7,9,12H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeyOVXMIHKMLWLEBZ-UHFFFAOYSA-N
XLogP1.12
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid
CID 79806989
2-ethyl-2-(methylamino)-5-(2-thiophen-2-ylimidazol-1-yl)pentanoic acid
CID 106806640
1-(4,4-dimethylhexyl)pyrazole
CID 166788525
5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805593
2-ethyl-2-(methylamino)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanoic acid
CID 106807369
2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid
CID 106805637
5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805845
2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid
CID 106806550
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid
CID 106806515
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805876
5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid
CID 106806917
4-methyl-4-(4-pyrazol-1-ylbutanoylamino)pentanoic acid
CID 119357108

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-pyrazol-1-ylpentanoic acid?
The IUPAC name of 2-ethyl-2-(methylamino)-5-pyrazol-1-ylpentanoic acid (CID 106806593) is 2-ethyl-2-(methylamino)-5-pyrazol-1-ylpentanoic acid.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-pyrazol-1-ylpentanoic acid?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-pyrazol-1-ylpentanoic acid is CCC(CCCn1cccn1)(NC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-pyrazol-1-ylpentanoic acid?
The InChIKey is OVXMIHKMLWLEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-11(12-2,10(15)16)6-4-8-14-9-5-7-13-14/h5,7,9,12H,3-4,6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-2-(methylamino)-5-pyrazol-1-ylpentanoic acid?
2-ethyl-2-(methylamino)-5-pyrazol-1-ylpentanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-pyrazol-1-ylpentanoic acid is sourced from PubChem (CID 106806593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).