3-methoxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide

C16H20N4O4 — CID 121091966

IUPAC3-methoxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)CNC(=O)c2cn(C)nc2OC)c1
InChIInChI=1S/C16H20N4O4/c1-20-10-13(16(19-20)24-3)15(22)18-9-14(21)17-8-11-5-4-6-12(7-11)23-2/h4-7,10H,8-9H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyAZONELGIBZFTIN-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.48
Rot. Bonds7

About 3-methoxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide

3-methoxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 121091966) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-methoxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide
PubChem CID121091966
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name3-methoxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)CNC(=O)c2cn(C)nc2OC)c1
InChIInChI=1S/C16H20N4O4/c1-20-10-13(16(19-20)24-3)15(22)18-9-14(21)17-8-11-5-4-6-12(7-11)23-2/h4-7,10H,8-9H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyAZONELGIBZFTIN-UHFFFAOYSA-N
XLogP0.48
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide (CID 121091966) is 3-methoxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide is COc1cccc(CNC(=O)CNC(=O)c2cn(C)nc2OC)c1.
What is the InChIKey of 3-methoxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is AZONELGIBZFTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-20-10-13(16(19-20)24-3)15(22)18-9-14(21)17-8-11-5-4-6-12(7-11)23-2/h4-7,10H,8-9H2,1-3H3,(H,17,21)(H,18,22).
What are the key properties of 3-methoxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide?
3-methoxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 121091966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).