3-(4-propan-2-ylpyrazol-1-yl)butanoic acid

C10H16N2O2 — CID 112545791

IUPAC3-(4-propan-2-ylpyrazol-1-yl)butanoic acid
SMILESCC(C)c1cnn(C(C)CC(=O)O)c1
InChIInChI=1S/C10H16N2O2/c1-7(2)9-5-11-12(6-9)8(3)4-10(13)14/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyNNQUILWQTUJESB-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.04
Rot. Bonds4

About 3-(4-propan-2-ylpyrazol-1-yl)butanoic acid

3-(4-propan-2-ylpyrazol-1-yl)butanoic acid (PubChem CID 112545791) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(4-propan-2-ylpyrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(4-propan-2-ylpyrazol-1-yl)butanoic acid
PubChem CID112545791
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(4-propan-2-ylpyrazol-1-yl)butanoic acid
SMILESCC(C)c1cnn(C(C)CC(=O)O)c1
InChIInChI=1S/C10H16N2O2/c1-7(2)9-5-11-12(6-9)8(3)4-10(13)14/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyNNQUILWQTUJESB-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-methylpyrazol-1-yl)butanoic acid
CID 93345108
3-(4-fluoropyrazol-1-yl)butanoic acid
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3-(4-ethoxycarbonylpyrazol-1-yl)butanoic acid
CID 81498416
4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid
CID 83835021
3-[4-(furan-2-yl)pyrazol-1-yl]butanoic acid
CID 167839702
4-(4-methylpyrazol-1-yl)pentanoic acid
CID 62213453
N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-amine
CID 171834803
3-[4-(3-amino-1H-indazol-5-yl)pyrazol-1-yl]butanoic acid
CID 68797274
3-(4-acetamidotriazol-1-yl)butanoic acid
CID 112546195
1-(1-isocyanoethyl)-4-propan-2-ylpyrazole
CID 170516524
1-but-3-yn-2-yl-4-propan-2-ylpyrazole
CID 88570782
ethane;2-(4-propan-2-ylpyrazol-1-yl)propanenitrile
CID 168929154

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylpyrazol-1-yl)butanoic acid?
The IUPAC name of 3-(4-propan-2-ylpyrazol-1-yl)butanoic acid (CID 112545791) is 3-(4-propan-2-ylpyrazol-1-yl)butanoic acid.
What is the SMILES notation for 3-(4-propan-2-ylpyrazol-1-yl)butanoic acid?
The canonical SMILES for 3-(4-propan-2-ylpyrazol-1-yl)butanoic acid is CC(C)c1cnn(C(C)CC(=O)O)c1.
What is the InChIKey of 3-(4-propan-2-ylpyrazol-1-yl)butanoic acid?
The InChIKey is NNQUILWQTUJESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(2)9-5-11-12(6-9)8(3)4-10(13)14/h5-8H,4H2,1-3H3,(H,13,14).
What are the key properties of 3-(4-propan-2-ylpyrazol-1-yl)butanoic acid?
3-(4-propan-2-ylpyrazol-1-yl)butanoic acid has a molecular weight of 196.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylpyrazol-1-yl)butanoic acid is sourced from PubChem (CID 112545791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).