[3-methyl-1-(2-phenoxyethyl)-4-phenylpyrazol-5-yl] morpholine-4-carboxylate

C23H25N3O4 — CID 22769112

IUPAC[3-methyl-1-(2-phenoxyethyl)-4-phenylpyrazol-5-yl] morpholine-4-carboxylate
SMILESCc1nn(CCOc2ccccc2)c(OC(=O)N2CCOCC2)c1-c1ccccc1
InChIInChI=1S/C23H25N3O4/c1-18-21(19-8-4-2-5-9-19)22(30-23(27)25-12-15-28-16-13-25)26(24-18)14-17-29-20-10-6-3-7-11-20/h2-11H,12-17H2,1H3
InChIKeyQRPVKFUJCUGSTE-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.77
Rot. Bonds6

About [3-methyl-1-(2-phenoxyethyl)-4-phenylpyrazol-5-yl] morpholine-4-carboxylate

[3-methyl-1-(2-phenoxyethyl)-4-phenylpyrazol-5-yl] morpholine-4-carboxylate (PubChem CID 22769112) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is [3-methyl-1-(2-phenoxyethyl)-4-phenylpyrazol-5-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[3-methyl-1-(2-phenoxyethyl)-4-phenylpyrazol-5-yl] morpholine-4-carboxylate
PubChem CID22769112
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name[3-methyl-1-(2-phenoxyethyl)-4-phenylpyrazol-5-yl] morpholine-4-carboxylate
SMILESCc1nn(CCOc2ccccc2)c(OC(=O)N2CCOCC2)c1-c1ccccc1
InChIInChI=1S/C23H25N3O4/c1-18-21(19-8-4-2-5-9-19)22(30-23(27)25-12-15-28-16-13-25)26(24-18)14-17-29-20-10-6-3-7-11-20/h2-11H,12-17H2,1H3
InChIKeyQRPVKFUJCUGSTE-UHFFFAOYSA-N
XLogP3.77
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-methyl-1-(2-phenoxyethyl)-4-phenylpyrazol-5-yl] morpholine-4-carboxylate 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-methyl-1-(2-phenoxyethyl)-4-phenylpyrazol-5-yl] morpholine-4-carboxylate?
The IUPAC name of [3-methyl-1-(2-phenoxyethyl)-4-phenylpyrazol-5-yl] morpholine-4-carboxylate (CID 22769112) is [3-methyl-1-(2-phenoxyethyl)-4-phenylpyrazol-5-yl] morpholine-4-carboxylate.
What is the SMILES notation for [3-methyl-1-(2-phenoxyethyl)-4-phenylpyrazol-5-yl] morpholine-4-carboxylate?
The canonical SMILES for [3-methyl-1-(2-phenoxyethyl)-4-phenylpyrazol-5-yl] morpholine-4-carboxylate is Cc1nn(CCOc2ccccc2)c(OC(=O)N2CCOCC2)c1-c1ccccc1.
What is the InChIKey of [3-methyl-1-(2-phenoxyethyl)-4-phenylpyrazol-5-yl] morpholine-4-carboxylate?
The InChIKey is QRPVKFUJCUGSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-18-21(19-8-4-2-5-9-19)22(30-23(27)25-12-15-28-16-13-25)26(24-18)14-17-29-20-10-6-3-7-11-20/h2-11H,12-17H2,1H3.
What are the key properties of [3-methyl-1-(2-phenoxyethyl)-4-phenylpyrazol-5-yl] morpholine-4-carboxylate?
[3-methyl-1-(2-phenoxyethyl)-4-phenylpyrazol-5-yl] morpholine-4-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-phenoxyethyl)-4-phenylpyrazol-5-yl] morpholine-4-carboxylate is sourced from PubChem (CID 22769112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).