3-(2-methylpyrimidin-5-yl)-3-(5-propylpyrazol-1-yl)propanoic acid

C14H18N4O2 — CID 167114178

IUPAC3-(2-methylpyrimidin-5-yl)-3-(5-propylpyrazol-1-yl)propanoic acid
SMILESCCCc1ccnn1C(CC(=O)O)c1cnc(C)nc1
InChIInChI=1S/C14H18N4O2/c1-3-4-12-5-6-17-18(12)13(7-14(19)20)11-8-15-10(2)16-9-11/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyQYZXJBIDFVEKTO-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.00
Rot. Bonds6

About 3-(2-methylpyrimidin-5-yl)-3-(5-propylpyrazol-1-yl)propanoic acid

3-(2-methylpyrimidin-5-yl)-3-(5-propylpyrazol-1-yl)propanoic acid (PubChem CID 167114178) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(2-methylpyrimidin-5-yl)-3-(5-propylpyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-methylpyrimidin-5-yl)-3-(5-propylpyrazol-1-yl)propanoic acid
PubChem CID167114178
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-(2-methylpyrimidin-5-yl)-3-(5-propylpyrazol-1-yl)propanoic acid
SMILESCCCc1ccnn1C(CC(=O)O)c1cnc(C)nc1
InChIInChI=1S/C14H18N4O2/c1-3-4-12-5-6-17-18(12)13(7-14(19)20)11-8-15-10(2)16-9-11/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyQYZXJBIDFVEKTO-UHFFFAOYSA-N
XLogP2.00
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-methylpyrimidin-5-yl)-3-(5-propylpyrazol-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrimidin-5-yl)-3-(5-propylpyrazol-1-yl)propanoic acid?
The IUPAC name of 3-(2-methylpyrimidin-5-yl)-3-(5-propylpyrazol-1-yl)propanoic acid (CID 167114178) is 3-(2-methylpyrimidin-5-yl)-3-(5-propylpyrazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-methylpyrimidin-5-yl)-3-(5-propylpyrazol-1-yl)propanoic acid?
The canonical SMILES for 3-(2-methylpyrimidin-5-yl)-3-(5-propylpyrazol-1-yl)propanoic acid is CCCc1ccnn1C(CC(=O)O)c1cnc(C)nc1.
What is the InChIKey of 3-(2-methylpyrimidin-5-yl)-3-(5-propylpyrazol-1-yl)propanoic acid?
The InChIKey is QYZXJBIDFVEKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-4-12-5-6-17-18(12)13(7-14(19)20)11-8-15-10(2)16-9-11/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,19,20).
What are the key properties of 3-(2-methylpyrimidin-5-yl)-3-(5-propylpyrazol-1-yl)propanoic acid?
3-(2-methylpyrimidin-5-yl)-3-(5-propylpyrazol-1-yl)propanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrimidin-5-yl)-3-(5-propylpyrazol-1-yl)propanoic acid is sourced from PubChem (CID 167114178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).