2-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethoxy]benzamide

C22H24N4O3 — CID 8531793

IUPAC2-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethoxy]benzamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C22H24N4O3/c1-15-19(16(2)26(24-15)17-9-5-4-6-10-17)13-25(3)21(27)14-29-20-12-8-7-11-18(20)22(23)28/h4-12H,13-14H2,1-3H3,(H2,23,28)
InChIKeyFLPLNCXRGHADOG-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.63
Rot. Bonds7

About 2-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethoxy]benzamide

2-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethoxy]benzamide (PubChem CID 8531793) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethoxy]benzamide
PubChem CID8531793
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethoxy]benzamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C22H24N4O3/c1-15-19(16(2)26(24-15)17-9-5-4-6-10-17)13-25(3)21(27)14-29-20-12-8-7-11-18(20)22(23)28/h4-12H,13-14H2,1-3H3,(H2,23,28)
InChIKeyFLPLNCXRGHADOG-UHFFFAOYSA-N
XLogP2.63
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 9140506
2-(4-acetylphenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 26029314
2-benzhydryloxy-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763735
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-naphthalen-1-yloxypropanamide
CID 47023769
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-methylbenzamide
CID 55363725
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,3-trimethylbutanamide
CID 78799265
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide
CID 60521825
2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 78807072
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8531865
(E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide
CID 9140685
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 9268418
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9140605

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethoxy]benzamide (CID 8531793) is 2-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethoxy]benzamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)COc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethoxy]benzamide?
The InChIKey is FLPLNCXRGHADOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-19(16(2)26(24-15)17-9-5-4-6-10-17)13-25(3)21(27)14-29-20-12-8-7-11-18(20)22(23)28/h4-12H,13-14H2,1-3H3,(H2,23,28).
What are the key properties of 2-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethoxy]benzamide?
2-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethoxy]benzamide has a molecular weight of 392.46 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 8531793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).