N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methoxyphenyl)methylamino]propanamide;oxalic acid

C24H28N4O7 — CID 71902659

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methoxyphenyl)methylamino]propanamide;oxalic acid
SMILESCOc1ccccc1CNC(C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.O=C(O)C(=O)O
InChIInChI=1S/C22H26N4O3.C2H2O4/c1-15(23-14-17-10-8-9-13-19(17)29-4)21(27)24-20-16(2)25(3)26(22(20)28)18-11-6-5-7-12-18;3-1(4)2(5)6/h5-13,15,23H,14H2,1-4H3,(H,24,27);(H,3,4)(H,5,6)
InChIKeyDBMFYRFRNVWKRU-UHFFFAOYSA-N
MW484.51 g/mol
LogP1.77
Rot. Bonds7

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methoxyphenyl)methylamino]propanamide;oxalic acid

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methoxyphenyl)methylamino]propanamide;oxalic acid (PubChem CID 71902659) has the molecular formula C24H28N4O7 and a molecular weight of 484.51 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methoxyphenyl)methylamino]propanamide;oxalic acid.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methoxyphenyl)methylamino]propanamide;oxalic acid
PubChem CID71902659
Molecular FormulaC24H28N4O7
Molecular Weight484.51 g/mol
Exact Mass484.20
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methoxyphenyl)methylamino]propanamide;oxalic acid
SMILESCOc1ccccc1CNC(C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.O=C(O)C(=O)O
InChIInChI=1S/C22H26N4O3.C2H2O4/c1-15(23-14-17-10-8-9-13-19(17)29-4)21(27)24-20-16(2)25(3)26(22(20)28)18-11-6-5-7-12-18;3-1(4)2(5)6/h5-13,15,23H,14H2,1-4H3,(H,24,27);(H,3,4)(H,5,6)
InChIKeyDBMFYRFRNVWKRU-UHFFFAOYSA-N
XLogP1.77
TPSA151.89 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methoxyphenyl)methylamino]propanamide
CID 71902660
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methoxyphenoxy)propanamide
CID 1283770
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methoxy-2-phenylacetamide
CID 40612688
[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 16522381
2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 4583375
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-propan-2-ylphenoxy)propanamide
CID 94019271
2-(2-chlorophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 3606208
methyl N-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 47985884
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 52590663
2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylbutanamide
CID 3047143
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxybenzamide
CID 981598
2-[(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]sulfanylacetic acid
CID 2125351

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methoxyphenyl)methylamino]propanamide;oxalic acid?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methoxyphenyl)methylamino]propanamide;oxalic acid (CID 71902659) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methoxyphenyl)methylamino]propanamide;oxalic acid.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methoxyphenyl)methylamino]propanamide;oxalic acid?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methoxyphenyl)methylamino]propanamide;oxalic acid is COc1ccccc1CNC(C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.O=C(O)C(=O)O.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methoxyphenyl)methylamino]propanamide;oxalic acid?
The InChIKey is DBMFYRFRNVWKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3.C2H2O4/c1-15(23-14-17-10-8-9-13-19(17)29-4)21(27)24-20-16(2)25(3)26(22(20)28)18-11-6-5-7-12-18;3-1(4)2(5)6/h5-13,15,23H,14H2,1-4H3,(H,24,27);(H,3,4)(H,5,6).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methoxyphenyl)methylamino]propanamide;oxalic acid?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methoxyphenyl)methylamino]propanamide;oxalic acid has a molecular weight of 484.51 g/mol, XLogP of 1.77, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methoxyphenyl)methylamino]propanamide;oxalic acid is sourced from PubChem (CID 71902659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).