2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid

C9H14N2O2 — CID 103005024

IUPAC2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
SMILESCC(CCc1ccnn1C)C(=O)O
InChIInChI=1S/C9H14N2O2/c1-7(9(12)13)3-4-8-5-6-10-11(8)2/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyYCMYNLPSIMVPBS-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.07
Rot. Bonds4

About 2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid

2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid (PubChem CID 103005024) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid.

Molecular Properties

Compound Name2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
PubChem CID103005024
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
SMILESCC(CCc1ccnn1C)C(=O)O
InChIInChI=1S/C9H14N2O2/c1-7(9(12)13)3-4-8-5-6-10-11(8)2/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyYCMYNLPSIMVPBS-UHFFFAOYSA-N
XLogP1.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-(2-methylpyrazol-3-yl)ethoxy]propanoic acid
CID 102999451
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid
CID 65067288
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
5-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310
2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 61499577
6-(2-methylpyrazol-3-yl)hexane-1,4-diol
CID 106677975
2-[(2-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005013
1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-ol
CID 103006232
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
2-methyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013814

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid?
The IUPAC name of 2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid (CID 103005024) is 2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid.
What is the SMILES notation for 2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid?
The canonical SMILES for 2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid is CC(CCc1ccnn1C)C(=O)O.
What is the InChIKey of 2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid?
The InChIKey is YCMYNLPSIMVPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(9(12)13)3-4-8-5-6-10-11(8)2/h5-7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid?
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid is sourced from PubChem (CID 103005024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).