2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetic acid

C11H19N3O2 — CID 61294445

IUPAC2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCc1nn(CCN(C)C)c(C)c1CC(=O)O
InChIInChI=1S/C11H19N3O2/c1-8-10(7-11(15)16)9(2)14(12-8)6-5-13(3)4/h5-7H2,1-4H3,(H,15,16)
InChIKeyZMNOOMHTAOHCLO-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.69
Rot. Bonds5

About 2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetic acid

2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetic acid (PubChem CID 61294445) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetic acid
PubChem CID61294445
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCc1nn(CCN(C)C)c(C)c1CC(=O)O
InChIInChI=1S/C11H19N3O2/c1-8-10(7-11(15)16)9(2)14(12-8)6-5-13(3)4/h5-7H2,1-4H3,(H,15,16)
InChIKeyZMNOOMHTAOHCLO-UHFFFAOYSA-N
XLogP0.69
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetic acid (CID 61294445) is 2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetic acid is Cc1nn(CCN(C)C)c(C)c1CC(=O)O.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetic acid?
The InChIKey is ZMNOOMHTAOHCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8-10(7-11(15)16)9(2)14(12-8)6-5-13(3)4/h5-7H2,1-4H3,(H,15,16).
What are the key properties of 2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetic acid?
2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetic acid has a molecular weight of 225.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 61294445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).