3-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]propanoic acid

C10H16N2O3 — CID 117125444

IUPAC3-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]propanoic acid
SMILESCC(C)(C)Oc1cnn(CCC(=O)O)c1
InChIInChI=1S/C10H16N2O3/c1-10(2,3)15-8-6-11-12(7-8)5-4-9(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyKMHZGZPNXCKOTG-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.54
Rot. Bonds4

About 3-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]propanoic acid

3-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]propanoic acid (PubChem CID 117125444) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]propanoic acid
PubChem CID117125444
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]propanoic acid
SMILESCC(C)(C)Oc1cnn(CCC(=O)O)c1
InChIInChI=1S/C10H16N2O3/c1-10(2,3)15-8-6-11-12(7-8)5-4-9(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyKMHZGZPNXCKOTG-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole
CID 117229710
3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid
CID 115055488
N-methyl-1-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]methanamine
CID 117125254
tert-butyl 3-[4-(2,4-dioxo-1,3-diazinan-1-yl)pyrazol-1-yl]propanoate;3-[4-(2,4-dioxo-1,3-diazinan-1-yl)pyrazol-1-yl]propanoic acid
CID 175772255
3-[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid
CID 79188745
3-[4-(ethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513520
3-[4-[butyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513598
3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19622220
3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 114230136
3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 61463326
4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid
CID 139033660
3-methyl-2-(1-propylpyrazol-4-yl)oxybutanoic acid
CID 116799986

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]propanoic acid (CID 117125444) is 3-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]propanoic acid is CC(C)(C)Oc1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]propanoic acid?
The InChIKey is KMHZGZPNXCKOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-10(2,3)15-8-6-11-12(7-8)5-4-9(13)14/h6-7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]propanoic acid?
3-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]propanoic acid has a molecular weight of 212.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 117125444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).