N-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C27H33N3O3 — CID 93135841

IUPACN-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H]1CCCO1)C(=O)C(C)C
InChIInChI=1S/C27H33N3O3/c1-4-25-24(19-29(26(31)20(2)3)18-23-16-11-17-32-23)27(33-22-14-9-6-10-15-22)30(28-25)21-12-7-5-8-13-21/h5-10,12-15,20,23H,4,11,16-19H2,1-3H3/t23-/m1/s1
InChIKeyUMDZBOBERYMZEW-HSZRJFAPSA-N
MW447.58 g/mol
LogP5.39
Rot. Bonds9

About N-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide

N-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 93135841) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID93135841
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC NameN-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H]1CCCO1)C(=O)C(C)C
InChIInChI=1S/C27H33N3O3/c1-4-25-24(19-29(26(31)20(2)3)18-23-16-11-17-32-23)27(33-22-14-9-6-10-15-22)30(28-25)21-12-7-5-8-13-21/h5-10,12-15,20,23H,4,11,16-19H2,1-3H3/t23-/m1/s1
InChIKeyUMDZBOBERYMZEW-HSZRJFAPSA-N
XLogP5.39
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide 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 N-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of N-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 93135841) is N-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for N-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for N-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide is CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H]1CCCO1)C(=O)C(C)C.
What is the InChIKey of N-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is UMDZBOBERYMZEW-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-4-25-24(19-29(26(31)20(2)3)18-23-16-11-17-32-23)27(33-22-14-9-6-10-15-22)30(28-25)21-12-7-5-8-13-21/h5-10,12-15,20,23H,4,11,16-19H2,1-3H3/t23-/m1/s1.
What are the key properties of N-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
N-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 447.58 g/mol, XLogP of 5.39, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 93135841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).