2-[methyl-[1-(4-methyl-1H-pyrazol-5-yl)ethyl]amino]acetic acid

C9H15N3O2 — CID 82398910

IUPAC2-[methyl-[1-(4-methyl-1H-pyrazol-5-yl)ethyl]amino]acetic acid
SMILESCc1cn[nH]c1C(C)N(C)CC(=O)O
InChIInChI=1S/C9H15N3O2/c1-6-4-10-11-9(6)7(2)12(3)5-8(13)14/h4,7H,5H2,1-3H3,(H,10,11)(H,13,14)
InChIKeyJRAJJDQPMHTCKK-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.80
Rot. Bonds4

About 2-[methyl-[1-(4-methyl-1H-pyrazol-5-yl)ethyl]amino]acetic acid

2-[methyl-[1-(4-methyl-1H-pyrazol-5-yl)ethyl]amino]acetic acid (PubChem CID 82398910) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[methyl-[1-(4-methyl-1H-pyrazol-5-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[1-(4-methyl-1H-pyrazol-5-yl)ethyl]amino]acetic acid
PubChem CID82398910
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[methyl-[1-(4-methyl-1H-pyrazol-5-yl)ethyl]amino]acetic acid
SMILESCc1cn[nH]c1C(C)N(C)CC(=O)O
InChIInChI=1S/C9H15N3O2/c1-6-4-10-11-9(6)7(2)12(3)5-8(13)14/h4,7H,5H2,1-3H3,(H,10,11)(H,13,14)
InChIKeyJRAJJDQPMHTCKK-UHFFFAOYSA-N
XLogP0.80
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(4-methyl-1H-pyrazol-5-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[1-(4-methyl-1H-pyrazol-5-yl)ethyl]amino]acetic acid (CID 82398910) is 2-[methyl-[1-(4-methyl-1H-pyrazol-5-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[1-(4-methyl-1H-pyrazol-5-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[1-(4-methyl-1H-pyrazol-5-yl)ethyl]amino]acetic acid is Cc1cn[nH]c1C(C)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[1-(4-methyl-1H-pyrazol-5-yl)ethyl]amino]acetic acid?
The InChIKey is JRAJJDQPMHTCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-4-10-11-9(6)7(2)12(3)5-8(13)14/h4,7H,5H2,1-3H3,(H,10,11)(H,13,14).
What are the key properties of 2-[methyl-[1-(4-methyl-1H-pyrazol-5-yl)ethyl]amino]acetic acid?
2-[methyl-[1-(4-methyl-1H-pyrazol-5-yl)ethyl]amino]acetic acid has a molecular weight of 197.24 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(4-methyl-1H-pyrazol-5-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 82398910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).