2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid

C10H15N3O3 — CID 28742543

IUPAC2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid
SMILESCc1nn(C)c(C)c1C(=O)N(C)CC(=O)O
InChIInChI=1S/C10H15N3O3/c1-6-9(7(2)13(4)11-6)10(16)12(3)5-8(14)15/h5H2,1-4H3,(H,14,15)
InChIKeyXQTWNOBHPOLKHW-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.19
Rot. Bonds3

About 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid

2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid (PubChem CID 28742543) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid
PubChem CID28742543
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid
SMILESCc1nn(C)c(C)c1C(=O)N(C)CC(=O)O
InChIInChI=1S/C10H15N3O3/c1-6-9(7(2)13(4)11-6)10(16)12(3)5-8(14)15/h5H2,1-4H3,(H,14,15)
InChIKeyXQTWNOBHPOLKHW-UHFFFAOYSA-N
XLogP0.19
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid (CID 28742543) is 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid is Cc1nn(C)c(C)c1C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid?
The InChIKey is XQTWNOBHPOLKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6-9(7(2)13(4)11-6)10(16)12(3)5-8(14)15/h5H2,1-4H3,(H,14,15).
What are the key properties of 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid?
2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 28742543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).