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

C20H21N3O3 — CID 1043889

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H21N3O3/c1-4-26-17-13-9-8-12-16(17)19(24)21-18-14(2)22(3)23(20(18)25)15-10-6-5-7-11-15/h5-13H,4H2,1-3H3,(H,21,24)
InChIKeyIHDOOJZQKIDMOR-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.14
Rot. Bonds5

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

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxybenzamide (PubChem CID 1043889) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxybenzamide
PubChem CID1043889
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H21N3O3/c1-4-26-17-13-9-8-12-16(17)19(24)21-18-14(2)22(3)23(20(18)25)15-10-6-5-7-11-15/h5-13H,4H2,1-3H3,(H,21,24)
InChIKeyIHDOOJZQKIDMOR-UHFFFAOYSA-N
XLogP3.14
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-ethoxy-3-methoxybenzamide
CID 26499954
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethoxy)benzamide
CID 42923993
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethoxy-4-propoxybenzamide
CID 26909003
2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethoxy]benzamide
CID 7283899
3-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethoxy-4-methoxybenzamide
CID 17458410
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxy-2H-chromene-3-carboxamide
CID 55712399
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methoxynaphthalene-2-carboxamide
CID 1035119
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxybenzamide
CID 981598
2-ethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393618
2-(2,5-dimethylbenzoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 26003123
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-formylphenoxy)acetamide
CID 7763073

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxybenzamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxybenzamide (CID 1043889) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxybenzamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxybenzamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxybenzamide?
The InChIKey is IHDOOJZQKIDMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-4-26-17-13-9-8-12-16(17)19(24)21-18-14(2)22(3)23(20(18)25)15-10-6-5-7-11-15/h5-13H,4H2,1-3H3,(H,21,24).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxybenzamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxybenzamide has a molecular weight of 351.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxybenzamide is sourced from PubChem (CID 1043889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).