(1-methyl-3-phenylmethoxypyrazol-4-yl) propanoate

C14H16N2O3 — CID 91044769

IUPAC(1-methyl-3-phenylmethoxypyrazol-4-yl) propanoate
SMILESCCC(=O)Oc1cn(C)nc1OCc1ccccc1
InChIInChI=1S/C14H16N2O3/c1-3-13(17)19-12-9-16(2)15-14(12)18-10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3
InChIKeyUYGVAMLHGPJBOD-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.31
Rot. Bonds5

About (1-methyl-3-phenylmethoxypyrazol-4-yl) propanoate

(1-methyl-3-phenylmethoxypyrazol-4-yl) propanoate (PubChem CID 91044769) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (1-methyl-3-phenylmethoxypyrazol-4-yl) propanoate.

Molecular Properties

Compound Name(1-methyl-3-phenylmethoxypyrazol-4-yl) propanoate
PubChem CID91044769
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(1-methyl-3-phenylmethoxypyrazol-4-yl) propanoate
SMILESCCC(=O)Oc1cn(C)nc1OCc1ccccc1
InChIInChI=1S/C14H16N2O3/c1-3-13(17)19-12-9-16(2)15-14(12)18-10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3
InChIKeyUYGVAMLHGPJBOD-UHFFFAOYSA-N
XLogP2.31
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-phenylmethoxypyrazol-4-yl) propanoate?
The IUPAC name of (1-methyl-3-phenylmethoxypyrazol-4-yl) propanoate (CID 91044769) is (1-methyl-3-phenylmethoxypyrazol-4-yl) propanoate.
What is the SMILES notation for (1-methyl-3-phenylmethoxypyrazol-4-yl) propanoate?
The canonical SMILES for (1-methyl-3-phenylmethoxypyrazol-4-yl) propanoate is CCC(=O)Oc1cn(C)nc1OCc1ccccc1.
What is the InChIKey of (1-methyl-3-phenylmethoxypyrazol-4-yl) propanoate?
The InChIKey is UYGVAMLHGPJBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-13(17)19-12-9-16(2)15-14(12)18-10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3.
What are the key properties of (1-methyl-3-phenylmethoxypyrazol-4-yl) propanoate?
(1-methyl-3-phenylmethoxypyrazol-4-yl) propanoate has a molecular weight of 260.29 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-phenylmethoxypyrazol-4-yl) propanoate is sourced from PubChem (CID 91044769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).