2-[(2-methylpyrazol-3-yl)methyl]butanoic acid

C9H14N2O2 — CID 83828502

IUPAC2-[(2-methylpyrazol-3-yl)methyl]butanoic acid
SMILESCCC(Cc1ccnn1C)C(=O)O
InChIInChI=1S/C9H14N2O2/c1-3-7(9(12)13)6-8-4-5-10-11(8)2/h4-5,7H,3,6H2,1-2H3,(H,12,13)
InChIKeyPDBNPJRHMQCYHJ-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.07
Rot. Bonds4

About 2-[(2-methylpyrazol-3-yl)methyl]butanoic acid

2-[(2-methylpyrazol-3-yl)methyl]butanoic acid (PubChem CID 83828502) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-[(2-methylpyrazol-3-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(2-methylpyrazol-3-yl)methyl]butanoic acid
PubChem CID83828502
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-[(2-methylpyrazol-3-yl)methyl]butanoic acid
SMILESCCC(Cc1ccnn1C)C(=O)O
InChIInChI=1S/C9H14N2O2/c1-3-7(9(12)13)6-8-4-5-10-11(8)2/h4-5,7H,3,6H2,1-2H3,(H,12,13)
InChIKeyPDBNPJRHMQCYHJ-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

4-ethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024188
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
(2S)-2-amino-3-(2-methylpyrazol-3-yl)propanoic acid;3-(2-methylpyrazol-3-yl)-2-oxopropanoic acid
CID 158555863
2-[(2-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005013
2-[butan-2-yl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 103004732
2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 61499577
N-[1-(2-methylpyrazol-3-yl)propan-2-yl]acetamide
CID 175743887
2-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
CID 55205366
2-(aminomethyl)-3-(2-methylpyrazol-3-yl)-1-morpholin-4-ylpropan-1-one
CID 114553858
(2-methylpyrazol-3-yl)methyl-triphenylphosphanium
CID 86032057
(2R)-2-[2-(2-methylpyrazol-3-yl)ethoxy]propanoic acid
CID 102999451
2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid
CID 65067288

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazol-3-yl)methyl]butanoic acid?
The IUPAC name of 2-[(2-methylpyrazol-3-yl)methyl]butanoic acid (CID 83828502) is 2-[(2-methylpyrazol-3-yl)methyl]butanoic acid.
What is the SMILES notation for 2-[(2-methylpyrazol-3-yl)methyl]butanoic acid?
The canonical SMILES for 2-[(2-methylpyrazol-3-yl)methyl]butanoic acid is CCC(Cc1ccnn1C)C(=O)O.
What is the InChIKey of 2-[(2-methylpyrazol-3-yl)methyl]butanoic acid?
The InChIKey is PDBNPJRHMQCYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-7(9(12)13)6-8-4-5-10-11(8)2/h4-5,7H,3,6H2,1-2H3,(H,12,13).
What are the key properties of 2-[(2-methylpyrazol-3-yl)methyl]butanoic acid?
2-[(2-methylpyrazol-3-yl)methyl]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-[(2-methylpyrazol-3-yl)methyl]butanoic acid is sourced from PubChem (CID 83828502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).