2-(1,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid

C9H14N2O2 — CID 105440103

IUPAC2-(1,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid
SMILESCc1cc(C(C)(C)C(=O)O)nn1C
InChIInChI=1S/C9H14N2O2/c1-6-5-7(10-11(6)4)9(2,3)8(12)13/h5H,1-4H3,(H,12,13)
InChIKeyKXNNSJRAPPQHSM-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.09
Rot. Bonds2

About 2-(1,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid

2-(1,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid (PubChem CID 105440103) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid
PubChem CID105440103
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(1,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid
SMILESCc1cc(C(C)(C)C(=O)O)nn1C
InChIInChI=1S/C9H14N2O2/c1-6-5-7(10-11(6)4)9(2,3)8(12)13/h5H,1-4H3,(H,12,13)
InChIKeyKXNNSJRAPPQHSM-UHFFFAOYSA-N
XLogP1.09
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid (CID 105440103) is 2-(1,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid is Cc1cc(C(C)(C)C(=O)O)nn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid?
The InChIKey is KXNNSJRAPPQHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-5-7(10-11(6)4)9(2,3)8(12)13/h5H,1-4H3,(H,12,13).
What are the key properties of 2-(1,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid?
2-(1,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 105440103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).