2,2-dimethyl-3-(4-methylpyrazol-1-yl)propanoic acid

C9H14N2O2 — CID 79628887

IUPAC2,2-dimethyl-3-(4-methylpyrazol-1-yl)propanoic acid
SMILESCc1cnn(CC(C)(C)C(=O)O)c1
InChIInChI=1S/C9H14N2O2/c1-7-4-10-11(5-7)6-9(2,3)8(12)13/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyPKNOIJXWPQVDID-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.30
Rot. Bonds3

About 2,2-dimethyl-3-(4-methylpyrazol-1-yl)propanoic acid

2,2-dimethyl-3-(4-methylpyrazol-1-yl)propanoic acid (PubChem CID 79628887) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methylpyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methylpyrazol-1-yl)propanoic acid
PubChem CID79628887
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2,2-dimethyl-3-(4-methylpyrazol-1-yl)propanoic acid
SMILESCc1cnn(CC(C)(C)C(=O)O)c1
InChIInChI=1S/C9H14N2O2/c1-7-4-10-11(5-7)6-9(2,3)8(12)13/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyPKNOIJXWPQVDID-UHFFFAOYSA-N
XLogP1.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-methylpyrazol-1-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(4-methylpyrazol-1-yl)propanoic acid (CID 79628887) is 2,2-dimethyl-3-(4-methylpyrazol-1-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(4-methylpyrazol-1-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(4-methylpyrazol-1-yl)propanoic acid is Cc1cnn(CC(C)(C)C(=O)O)c1.
What is the InChIKey of 2,2-dimethyl-3-(4-methylpyrazol-1-yl)propanoic acid?
The InChIKey is PKNOIJXWPQVDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7-4-10-11(5-7)6-9(2,3)8(12)13/h4-5H,6H2,1-3H3,(H,12,13).
What are the key properties of 2,2-dimethyl-3-(4-methylpyrazol-1-yl)propanoic acid?
2,2-dimethyl-3-(4-methylpyrazol-1-yl)propanoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methylpyrazol-1-yl)propanoic acid is sourced from PubChem (CID 79628887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).