2-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]acetic acid

C10H12N4O2 — CID 19621310

IUPAC2-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]acetic acid
SMILESCc1c(-c2ccn(CC(=O)O)n2)cnn1C
InChIInChI=1S/C10H12N4O2/c1-7-8(5-11-13(7)2)9-3-4-14(12-9)6-10(15)16/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyNJYLEHWLYIFZND-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.68
Rot. Bonds3

About 2-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]acetic acid

2-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]acetic acid (PubChem CID 19621310) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]acetic acid
PubChem CID19621310
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]acetic acid
SMILESCc1c(-c2ccn(CC(=O)O)n2)cnn1C
InChIInChI=1S/C10H12N4O2/c1-7-8(5-11-13(7)2)9-3-4-14(12-9)6-10(15)16/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyNJYLEHWLYIFZND-UHFFFAOYSA-N
XLogP0.68
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]acetic acid (CID 19621310) is 2-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]acetic acid is Cc1c(-c2ccn(CC(=O)O)n2)cnn1C.
What is the InChIKey of 2-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]acetic acid?
The InChIKey is NJYLEHWLYIFZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7-8(5-11-13(7)2)9-3-4-14(12-9)6-10(15)16/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]acetic acid?
2-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]acetic acid has a molecular weight of 220.23 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19621310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).