N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C18H24N4O4 — CID 131902769

IUPACN-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCOCC(=O)Nc1cc(NC(=O)c2cc(C(C)C)nn2C)ccc1OC
InChIInChI=1S/C18H24N4O4/c1-11(2)13-9-15(22(3)21-13)18(24)19-12-6-7-16(26-5)14(8-12)20-17(23)10-25-4/h6-9,11H,10H2,1-5H3,(H,19,24)(H,20,23)
InChIKeyVUVYPAKMEJKXOD-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.39
Rot. Bonds7

About N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 131902769) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID131902769
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCOCC(=O)Nc1cc(NC(=O)c2cc(C(C)C)nn2C)ccc1OC
InChIInChI=1S/C18H24N4O4/c1-11(2)13-9-15(22(3)21-13)18(24)19-12-6-7-16(26-5)14(8-12)20-17(23)10-25-4/h6-9,11H,10H2,1-5H3,(H,19,24)(H,20,23)
InChIKeyVUVYPAKMEJKXOD-UHFFFAOYSA-N
XLogP2.39
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]pyridine-2-carboxamide
CID 131938039
N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 131939559
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 131896511
2-chloro-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide
CID 131927811
N-[2-[4-methoxy-3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide
CID 131925236
3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 10734263
N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 131895084
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
CID 24657024
N-(3-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120952
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584
3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097288

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 131902769) is N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is COCC(=O)Nc1cc(NC(=O)c2cc(C(C)C)nn2C)ccc1OC.
What is the InChIKey of N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is VUVYPAKMEJKXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-11(2)13-9-15(22(3)21-13)18(24)19-12-6-7-16(26-5)14(8-12)20-17(23)10-25-4/h6-9,11H,10H2,1-5H3,(H,19,24)(H,20,23).
What are the key properties of N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 131902769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).