4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide

C20H22N4O2 — CID 55716054

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide
SMILESCCOc1cc(CNC(=O)c2ccc(-n3nc(C)cc3C)cc2)ccn1
InChIInChI=1S/C20H22N4O2/c1-4-26-19-12-16(9-10-21-19)13-22-20(25)17-5-7-18(8-6-17)24-15(3)11-14(2)23-24/h5-12H,4,13H2,1-3H3,(H,22,25)
InChIKeyOMMKNVSWYWWMNN-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.21
Rot. Bonds6

About 4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide (PubChem CID 55716054) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide
PubChem CID55716054
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide
SMILESCCOc1cc(CNC(=O)c2ccc(-n3nc(C)cc3C)cc2)ccn1
InChIInChI=1S/C20H22N4O2/c1-4-26-19-12-16(9-10-21-19)13-22-20(25)17-5-7-18(8-6-17)24-15(3)11-14(2)23-24/h5-12H,4,13H2,1-3H3,(H,22,25)
InChIKeyOMMKNVSWYWWMNN-UHFFFAOYSA-N
XLogP3.21
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 9112873
4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801026
4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 26251280
4-(3,5-dimethylpyrazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 122135738
4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56552141
N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119408817
1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide
CID 55841094
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide
CID 26365102
N-[(2-ethoxy-4-pyridinyl)methyl]-9-oxofluorene-2-carboxamide
CID 55723662
1-[4-(ethylcarbamoyl)phenyl]-5-(methylsulfanylmethyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]triazole-4-carboxamide
CID 69372432
N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119499461
N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 136561565

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide (CID 55716054) is 4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide is CCOc1cc(CNC(=O)c2ccc(-n3nc(C)cc3C)cc2)ccn1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide?
The InChIKey is OMMKNVSWYWWMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-4-26-19-12-16(9-10-21-19)13-22-20(25)17-5-7-18(8-6-17)24-15(3)11-14(2)23-24/h5-12H,4,13H2,1-3H3,(H,22,25).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 55716054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).