4-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylpyrazole-3-carboxamide

C18H22N4O4 — CID 47083455

IUPAC4-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C18H22N4O4/c1-13(18(24)21-8-10-26-11-9-21)19-17(23)16-15(25-2)12-22(20-16)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,19,23)
InChIKeyKGUCRYQOVDCIOI-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.86
Rot. Bonds5

About 4-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylpyrazole-3-carboxamide

4-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylpyrazole-3-carboxamide (PubChem CID 47083455) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylpyrazole-3-carboxamide
PubChem CID47083455
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name4-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C18H22N4O4/c1-13(18(24)21-8-10-26-11-9-21)19-17(23)16-15(25-2)12-22(20-16)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,19,23)
InChIKeyKGUCRYQOVDCIOI-UHFFFAOYSA-N
XLogP0.86
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylpyrazole-3-carboxamide 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 4-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylpyrazole-3-carboxamide (CID 47083455) is 4-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)NC(C)C(=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is KGUCRYQOVDCIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-13(18(24)21-8-10-26-11-9-21)19-17(23)16-15(25-2)12-22(20-16)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,19,23).
What are the key properties of 4-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylpyrazole-3-carboxamide?
4-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 47083455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).