4-(1,4,5-trimethylpyrazol-3-yl)butanoic acid

C10H16N2O2 — CID 83858641

IUPAC4-(1,4,5-trimethylpyrazol-3-yl)butanoic acid
SMILESCc1c(CCCC(=O)O)nn(C)c1C
InChIInChI=1S/C10H16N2O2/c1-7-8(2)12(3)11-9(7)5-4-6-10(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyUASXYTGNFJNHKA-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.44
Rot. Bonds4

About 4-(1,4,5-trimethylpyrazol-3-yl)butanoic acid

4-(1,4,5-trimethylpyrazol-3-yl)butanoic acid (PubChem CID 83858641) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(1,4,5-trimethylpyrazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(1,4,5-trimethylpyrazol-3-yl)butanoic acid
PubChem CID83858641
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-(1,4,5-trimethylpyrazol-3-yl)butanoic acid
SMILESCc1c(CCCC(=O)O)nn(C)c1C
InChIInChI=1S/C10H16N2O2/c1-7-8(2)12(3)11-9(7)5-4-6-10(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyUASXYTGNFJNHKA-UHFFFAOYSA-N
XLogP1.44
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 3157816
3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 1084875
2H-Indazole-3-acetic acid, 4,5,6,7-tetrahydro-2-methyl-
CID 210809
3-(1,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19616562
3-(1,3-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19621371
2-methyl-3-(trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 23005992
3-[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrazol-1-yl]propanoic acid
CID 25323871
1H-Pyrazole-5-acetic acid, 3-cyclopropyl-1-methyl-
CID 50896801
2-(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)acetic acid
CID 50987849
3-[1-(ethoxymethyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-methylpropanoic acid
CID 121553718
3-(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)propanoic acid
CID 50987850
3-(1,5-dimethyl-1H-pyrazol-4-yl)-2,2-dimethylpropanoic acid
CID 165833803

Frequently Asked Questions

What is the IUPAC name of 4-(1,4,5-trimethylpyrazol-3-yl)butanoic acid?
The IUPAC name of 4-(1,4,5-trimethylpyrazol-3-yl)butanoic acid (CID 83858641) is 4-(1,4,5-trimethylpyrazol-3-yl)butanoic acid.
What is the SMILES notation for 4-(1,4,5-trimethylpyrazol-3-yl)butanoic acid?
The canonical SMILES for 4-(1,4,5-trimethylpyrazol-3-yl)butanoic acid is Cc1c(CCCC(=O)O)nn(C)c1C.
What is the InChIKey of 4-(1,4,5-trimethylpyrazol-3-yl)butanoic acid?
The InChIKey is UASXYTGNFJNHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-8(2)12(3)11-9(7)5-4-6-10(13)14/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 4-(1,4,5-trimethylpyrazol-3-yl)butanoic acid?
4-(1,4,5-trimethylpyrazol-3-yl)butanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4,5-trimethylpyrazol-3-yl)butanoic acid is sourced from PubChem (CID 83858641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).