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

C9H13N3O3 — CID 28742468

IUPAC2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid
SMILESCc1nn(C)c(C)c1C(=O)NCC(=O)O
InChIInChI=1S/C9H13N3O3/c1-5-8(6(2)12(3)11-5)9(15)10-4-7(13)14/h4H2,1-3H3,(H,10,15)(H,13,14)
InChIKeyPTNHFYMXKJAHCM-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.15
Rot. Bonds3

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

2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid (PubChem CID 28742468) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid
PubChem CID28742468
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid
SMILESCc1nn(C)c(C)c1C(=O)NCC(=O)O
InChIInChI=1S/C9H13N3O3/c1-5-8(6(2)12(3)11-5)9(15)10-4-7(13)14/h4H2,1-3H3,(H,10,15)(H,13,14)
InChIKeyPTNHFYMXKJAHCM-UHFFFAOYSA-N
XLogP-0.15
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid (CID 28742468) is 2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid is Cc1nn(C)c(C)c1C(=O)NCC(=O)O.
What is the InChIKey of 2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid?
The InChIKey is PTNHFYMXKJAHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5-8(6(2)12(3)11-5)9(15)10-4-7(13)14/h4H2,1-3H3,(H,10,15)(H,13,14).
What are the key properties of 2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid?
2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid has a molecular weight of 211.22 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 28742468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).