3-(1-butylpyrazol-4-yl)propanoic acid

C10H16N2O2 — CID 122240441

IUPAC3-(1-butylpyrazol-4-yl)propanoic acid
SMILESCCCCn1cc(CCC(=O)O)cn1
InChIInChI=1S/C10H16N2O2/c1-2-3-6-12-8-9(7-11-12)4-5-10(13)14/h7-8H,2-6H2,1H3,(H,13,14)
InChIKeyVAOZKJGNWUBIEM-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.70
Rot. Bonds6

About 3-(1-butylpyrazol-4-yl)propanoic acid

3-(1-butylpyrazol-4-yl)propanoic acid (PubChem CID 122240441) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(1-butylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-butylpyrazol-4-yl)propanoic acid
PubChem CID122240441
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(1-butylpyrazol-4-yl)propanoic acid
SMILESCCCCn1cc(CCC(=O)O)cn1
InChIInChI=1S/C10H16N2O2/c1-2-3-6-12-8-9(7-11-12)4-5-10(13)14/h7-8H,2-6H2,1H3,(H,13,14)
InChIKeyVAOZKJGNWUBIEM-UHFFFAOYSA-N
XLogP1.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dipentylpyrazole
CID 70562897
3-(1-but-3-enylpyrazol-4-yl)propanoic acid
CID 122240958
3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid
CID 84767566
3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanoic acid
CID 122240608
3-(1-nonyltriazol-4-yl)propanoic acid
CID 107460574
5-(4-chloropyrazol-1-yl)pentanoic acid
CID 61035108
5-[3-(1-methylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119234671
6-(1-ethylpyrazol-4-yl)hexan-3-one
CID 64521135
1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one
CID 62126384
4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572838
5-oxo-2-pentylpyridazine-4-carboxylic acid
CID 67928483
3-[ethyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]propanoic acid
CID 65062810

Frequently Asked Questions

What is the IUPAC name of 3-(1-butylpyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(1-butylpyrazol-4-yl)propanoic acid (CID 122240441) is 3-(1-butylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(1-butylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(1-butylpyrazol-4-yl)propanoic acid is CCCCn1cc(CCC(=O)O)cn1.
What is the InChIKey of 3-(1-butylpyrazol-4-yl)propanoic acid?
The InChIKey is VAOZKJGNWUBIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-3-6-12-8-9(7-11-12)4-5-10(13)14/h7-8H,2-6H2,1H3,(H,13,14).
What are the key properties of 3-(1-butylpyrazol-4-yl)propanoic acid?
3-(1-butylpyrazol-4-yl)propanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 122240441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).