3-[2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]propanoic acid

C14H23N3O2 — CID 25248436

IUPAC3-[2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]propanoic acid
SMILESCC(C)Cn1nccc1C1CCCN1CCC(=O)O
InChIInChI=1S/C14H23N3O2/c1-11(2)10-17-13(5-7-15-17)12-4-3-8-16(12)9-6-14(18)19/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,18,19)
InChIKeyPVANVPLZUBZGAF-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.15
Rot. Bonds6

About 3-[2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]propanoic acid

3-[2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]propanoic acid (PubChem CID 25248436) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]propanoic acid
PubChem CID25248436
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]propanoic acid
SMILESCC(C)Cn1nccc1C1CCCN1CCC(=O)O
InChIInChI=1S/C14H23N3O2/c1-11(2)10-17-13(5-7-15-17)12-4-3-8-16(12)9-6-14(18)19/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,18,19)
InChIKeyPVANVPLZUBZGAF-UHFFFAOYSA-N
XLogP2.15
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]propanoic acid?
The IUPAC name of 3-[2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]propanoic acid (CID 25248436) is 3-[2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 3-[2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]propanoic acid is CC(C)Cn1nccc1C1CCCN1CCC(=O)O.
What is the InChIKey of 3-[2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]propanoic acid?
The InChIKey is PVANVPLZUBZGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)10-17-13(5-7-15-17)12-4-3-8-16(12)9-6-14(18)19/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]propanoic acid?
3-[2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]propanoic acid has a molecular weight of 265.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 25248436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).