3-(1-methyl-5-propan-2-ylpyrazol-3-yl)propanoic acid

C10H16N2O2 — CID 82606665

IUPAC3-(1-methyl-5-propan-2-ylpyrazol-3-yl)propanoic acid
SMILESCC(C)c1cc(CCC(=O)O)nn1C
InChIInChI=1S/C10H16N2O2/c1-7(2)9-6-8(11-12(9)3)4-5-10(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyLRXQLOMBSUEMOQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.56
Rot. Bonds4

About 3-(1-methyl-5-propan-2-ylpyrazol-3-yl)propanoic acid

3-(1-methyl-5-propan-2-ylpyrazol-3-yl)propanoic acid (PubChem CID 82606665) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(1-methyl-5-propan-2-ylpyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-methyl-5-propan-2-ylpyrazol-3-yl)propanoic acid
PubChem CID82606665
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(1-methyl-5-propan-2-ylpyrazol-3-yl)propanoic acid
SMILESCC(C)c1cc(CCC(=O)O)nn1C
InChIInChI=1S/C10H16N2O2/c1-7(2)9-6-8(11-12(9)3)4-5-10(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyLRXQLOMBSUEMOQ-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-5-propan-2-ylpyrazol-3-yl)propanoic acid?
The IUPAC name of 3-(1-methyl-5-propan-2-ylpyrazol-3-yl)propanoic acid (CID 82606665) is 3-(1-methyl-5-propan-2-ylpyrazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(1-methyl-5-propan-2-ylpyrazol-3-yl)propanoic acid?
The canonical SMILES for 3-(1-methyl-5-propan-2-ylpyrazol-3-yl)propanoic acid is CC(C)c1cc(CCC(=O)O)nn1C.
What is the InChIKey of 3-(1-methyl-5-propan-2-ylpyrazol-3-yl)propanoic acid?
The InChIKey is LRXQLOMBSUEMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(2)9-6-8(11-12(9)3)4-5-10(13)14/h6-7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3-(1-methyl-5-propan-2-ylpyrazol-3-yl)propanoic acid?
3-(1-methyl-5-propan-2-ylpyrazol-3-yl)propanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-5-propan-2-ylpyrazol-3-yl)propanoic acid is sourced from PubChem (CID 82606665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).