2-[3-(dimethylamino)-1-methylpyrazol-5-yl]acetic acid

C8H13N3O2 — CID 83864170

IUPAC2-[3-(dimethylamino)-1-methylpyrazol-5-yl]acetic acid
SMILESCN(C)c1cc(CC(=O)O)n(C)n1
InChIInChI=1S/C8H13N3O2/c1-10(2)7-4-6(5-8(12)13)11(3)9-7/h4H,5H2,1-3H3,(H,12,13)
InChIKeyONVFXSTYUOBFHX-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.11
Rot. Bonds3

About 2-[3-(dimethylamino)-1-methylpyrazol-5-yl]acetic acid

2-[3-(dimethylamino)-1-methylpyrazol-5-yl]acetic acid (PubChem CID 83864170) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-1-methylpyrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)-1-methylpyrazol-5-yl]acetic acid
PubChem CID83864170
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-[3-(dimethylamino)-1-methylpyrazol-5-yl]acetic acid
SMILESCN(C)c1cc(CC(=O)O)n(C)n1
InChIInChI=1S/C8H13N3O2/c1-10(2)7-4-6(5-8(12)13)11(3)9-7/h4H,5H2,1-3H3,(H,12,13)
InChIKeyONVFXSTYUOBFHX-UHFFFAOYSA-N
XLogP0.11
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-1-methylpyrazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(dimethylamino)-1-methylpyrazol-5-yl]acetic acid (CID 83864170) is 2-[3-(dimethylamino)-1-methylpyrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(dimethylamino)-1-methylpyrazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(dimethylamino)-1-methylpyrazol-5-yl]acetic acid is CN(C)c1cc(CC(=O)O)n(C)n1.
What is the InChIKey of 2-[3-(dimethylamino)-1-methylpyrazol-5-yl]acetic acid?
The InChIKey is ONVFXSTYUOBFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-10(2)7-4-6(5-8(12)13)11(3)9-7/h4H,5H2,1-3H3,(H,12,13).
What are the key properties of 2-[3-(dimethylamino)-1-methylpyrazol-5-yl]acetic acid?
2-[3-(dimethylamino)-1-methylpyrazol-5-yl]acetic acid has a molecular weight of 183.21 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-1-methylpyrazol-5-yl]acetic acid is sourced from PubChem (CID 83864170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).