4-(4-methylpyrazol-1-yl)butanoic acid

C8H12N2O2 — CID 19620049

IUPAC4-(4-methylpyrazol-1-yl)butanoic acid
SMILESCc1cnn(CCCC(=O)O)c1
InChIInChI=1S/C8H12N2O2/c1-7-5-9-10(6-7)4-2-3-8(11)12/h5-6H,2-4H2,1H3,(H,11,12)
InChIKeyLEEJKQABVVGZJR-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.06
Rot. Bonds4

About 4-(4-methylpyrazol-1-yl)butanoic acid

4-(4-methylpyrazol-1-yl)butanoic acid (PubChem CID 19620049) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)butanoic acid
PubChem CID19620049
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-(4-methylpyrazol-1-yl)butanoic acid
SMILESCc1cnn(CCCC(=O)O)c1
InChIInChI=1S/C8H12N2O2/c1-7-5-9-10(6-7)4-2-3-8(11)12/h5-6H,2-4H2,1H3,(H,11,12)
InChIKeyLEEJKQABVVGZJR-UHFFFAOYSA-N
XLogP1.06
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrazol-1-yl)butanoic acid?
The IUPAC name of 4-(4-methylpyrazol-1-yl)butanoic acid (CID 19620049) is 4-(4-methylpyrazol-1-yl)butanoic acid.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)butanoic acid?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)butanoic acid is Cc1cnn(CCCC(=O)O)c1.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)butanoic acid?
The InChIKey is LEEJKQABVVGZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-7-5-9-10(6-7)4-2-3-8(11)12/h5-6H,2-4H2,1H3,(H,11,12).
What are the key properties of 4-(4-methylpyrazol-1-yl)butanoic acid?
4-(4-methylpyrazol-1-yl)butanoic acid has a molecular weight of 168.20 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)butanoic acid is sourced from PubChem (CID 19620049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).