2-[4-[1-(ethylamino)ethyl]-5-methylpyrazol-1-yl]acetic acid

C10H17N3O2 — CID 63277012

IUPAC2-[4-[1-(ethylamino)ethyl]-5-methylpyrazol-1-yl]acetic acid
SMILESCCNC(C)c1cnn(CC(=O)O)c1C
InChIInChI=1S/C10H17N3O2/c1-4-11-7(2)9-5-12-13(8(9)3)6-10(14)15/h5,7,11H,4,6H2,1-3H3,(H,14,15)
InChIKeyXUQVZKLKSZNRMI-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.95
Rot. Bonds5

About 2-[4-[1-(ethylamino)ethyl]-5-methylpyrazol-1-yl]acetic acid

2-[4-[1-(ethylamino)ethyl]-5-methylpyrazol-1-yl]acetic acid (PubChem CID 63277012) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[4-[1-(ethylamino)ethyl]-5-methylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(ethylamino)ethyl]-5-methylpyrazol-1-yl]acetic acid
PubChem CID63277012
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[4-[1-(ethylamino)ethyl]-5-methylpyrazol-1-yl]acetic acid
SMILESCCNC(C)c1cnn(CC(=O)O)c1C
InChIInChI=1S/C10H17N3O2/c1-4-11-7(2)9-5-12-13(8(9)3)6-10(14)15/h5,7,11H,4,6H2,1-3H3,(H,14,15)
InChIKeyXUQVZKLKSZNRMI-UHFFFAOYSA-N
XLogP0.95
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(ethylamino)ethyl]-5-methylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[1-(ethylamino)ethyl]-5-methylpyrazol-1-yl]acetic acid (CID 63277012) is 2-[4-[1-(ethylamino)ethyl]-5-methylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(ethylamino)ethyl]-5-methylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(ethylamino)ethyl]-5-methylpyrazol-1-yl]acetic acid is CCNC(C)c1cnn(CC(=O)O)c1C.
What is the InChIKey of 2-[4-[1-(ethylamino)ethyl]-5-methylpyrazol-1-yl]acetic acid?
The InChIKey is XUQVZKLKSZNRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-11-7(2)9-5-12-13(8(9)3)6-10(14)15/h5,7,11H,4,6H2,1-3H3,(H,14,15).
What are the key properties of 2-[4-[1-(ethylamino)ethyl]-5-methylpyrazol-1-yl]acetic acid?
2-[4-[1-(ethylamino)ethyl]-5-methylpyrazol-1-yl]acetic acid has a molecular weight of 211.26 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(ethylamino)ethyl]-5-methylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 63277012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).