N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxy-N-methylbenzamide

C22H25N3O5 — CID 3051759

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)cc(OC)c1OC
InChIInChI=1S/C22H25N3O5/c1-14-19(22(27)25(24(14)3)16-10-8-7-9-11-16)23(2)21(26)15-12-17(28-4)20(30-6)18(13-15)29-5/h7-13H,1-6H3
InChIKeyISRFHKPFMHNXPQ-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.79
Rot. Bonds6

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxy-N-methylbenzamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxy-N-methylbenzamide (PubChem CID 3051759) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxy-N-methylbenzamide
PubChem CID3051759
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)cc(OC)c1OC
InChIInChI=1S/C22H25N3O5/c1-14-19(22(27)25(24(14)3)16-10-8-7-9-11-16)23(2)21(26)15-12-17(28-4)20(30-6)18(13-15)29-5/h7-13H,1-6H3
InChIKeyISRFHKPFMHNXPQ-UHFFFAOYSA-N
XLogP2.79
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-(2-Methoxyphenyl)-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone
CID 28757
3,4,5-Trimethoxybenzanilide
CID 305103
N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide
CID 692750
2-Methyl-1-(3,4,5-trimethoxybenzoyl)-1,2,3,4-tetrahydroquinoline
CID 2929726
1-(3-Phenylprop-2-enyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
CID 1048988
p-Benzotoluidide, 3,4,5-trimethoxy-
CID 12924
3,4,5-Trimethoxy-N-(2-methoxyphenyl)benzamide
CID 199280
4'-Dimethylamino-3,4,5-trimethoxy benzanilide
CID 43380
3,4,5-Trimethoxy-N-(4-methoxyphenyl)benzamide
CID 364715
N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide
CID 897201
(2-Methylindolin-1-yl)(3,4,5-trimethoxyphenyl)methanone
CID 607139
3,4,5-triethoxy-N-methyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
CID 665151

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxy-N-methylbenzamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxy-N-methylbenzamide (CID 3051759) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxy-N-methylbenzamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxy-N-methylbenzamide is COc1cc(C(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)cc(OC)c1OC.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxy-N-methylbenzamide?
The InChIKey is ISRFHKPFMHNXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-14-19(22(27)25(24(14)3)16-10-8-7-9-11-16)23(2)21(26)15-12-17(28-4)20(30-6)18(13-15)29-5/h7-13H,1-6H3.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxy-N-methylbenzamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxy-N-methylbenzamide has a molecular weight of 411.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 3051759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).