2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid

C10H17N3O2 — CID 65056387

IUPAC2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid
SMILESCCn1cc(C(C)N(C)CC(=O)O)cn1
InChIInChI=1S/C10H17N3O2/c1-4-13-6-9(5-11-13)8(2)12(3)7-10(14)15/h5-6,8H,4,7H2,1-3H3,(H,14,15)
InChIKeyQYYQVARJFNBIRB-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.98
Rot. Bonds5

About 2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid

2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid (PubChem CID 65056387) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid
PubChem CID65056387
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid
SMILESCCn1cc(C(C)N(C)CC(=O)O)cn1
InChIInChI=1S/C10H17N3O2/c1-4-13-6-9(5-11-13)8(2)12(3)7-10(14)15/h5-6,8H,4,7H2,1-3H3,(H,14,15)
InChIKeyQYYQVARJFNBIRB-UHFFFAOYSA-N
XLogP0.98
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[N-[1-(1-ethylpyrazol-4-yl)ethyl]anilino]propanoic acid
CID 65059755
4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid
CID 103570340
2-amino-2-(1-ethylpyrazol-4-yl)acetic acid
CID 83873853
2-[methyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 106758914
2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid
CID 103569944
2-[ethyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]acetic acid
CID 65063078
1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol
CID 115601039
4-chloro-4-(1-ethylpyrazol-4-yl)butanoic acid
CID 103571317
2-[(1-ethylpyrazol-4-yl)-hydroxymethyl]-3-methylbutanoic acid
CID 103570644
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63065792
N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide
CID 157036975

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid?
The IUPAC name of 2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid (CID 65056387) is 2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid.
What is the SMILES notation for 2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid?
The canonical SMILES for 2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid is CCn1cc(C(C)N(C)CC(=O)O)cn1.
What is the InChIKey of 2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid?
The InChIKey is QYYQVARJFNBIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-13-6-9(5-11-13)8(2)12(3)7-10(14)15/h5-6,8H,4,7H2,1-3H3,(H,14,15).
What are the key properties of 2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid?
2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid has a molecular weight of 211.26 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid is sourced from PubChem (CID 65056387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).