2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid

C9H13N3O3 — CID 61011424

IUPAC2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccnn1C
InChIInChI=1S/C9H13N3O3/c1-3-12(6-8(13)14)9(15)7-4-5-10-11(7)2/h4-5H,3,6H2,1-2H3,(H,13,14)
InChIKeyHSAQFDHOINEXKS-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.03
Rot. Bonds4

About 2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid

2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid (PubChem CID 61011424) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
PubChem CID61011424
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccnn1C
InChIInChI=1S/C9H13N3O3/c1-3-12(6-8(13)14)9(15)7-4-5-10-11(7)2/h4-5H,3,6H2,1-2H3,(H,13,14)
InChIKeyHSAQFDHOINEXKS-UHFFFAOYSA-N
XLogP-0.03
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid (CID 61011424) is 2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)c1ccnn1C.
What is the InChIKey of 2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid?
The InChIKey is HSAQFDHOINEXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-3-12(6-8(13)14)9(15)7-4-5-10-11(7)2/h4-5H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid?
2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid has a molecular weight of 211.22 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 61011424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).