N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,3-dimethoxybenzamide

C16H21N3O3 — CID 35762282

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,3-dimethoxybenzamide
SMILESCCn1ncc(CNC(=O)c2cccc(OC)c2OC)c1C
InChIInChI=1S/C16H21N3O3/c1-5-19-11(2)12(10-18-19)9-17-16(20)13-7-6-8-14(21-3)15(13)22-4/h6-8,10H,5,9H2,1-4H3,(H,17,20)
InChIKeyVLHGTINQPVXPHJ-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.16
Rot. Bonds6

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,3-dimethoxybenzamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,3-dimethoxybenzamide (PubChem CID 35762282) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,3-dimethoxybenzamide
PubChem CID35762282
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,3-dimethoxybenzamide
SMILESCCn1ncc(CNC(=O)c2cccc(OC)c2OC)c1C
InChIInChI=1S/C16H21N3O3/c1-5-19-11(2)12(10-18-19)9-17-16(20)13-7-6-8-14(21-3)15(13)22-4/h6-8,10H,5,9H2,1-4H3,(H,17,20)
InChIKeyVLHGTINQPVXPHJ-UHFFFAOYSA-N
XLogP2.16
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 19290408
N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide
CID 19571806
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
CID 19290508
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]butanamide
CID 19290534
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19290411
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19282116
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508772
N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
CID 912340
4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
CID 19290546

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,3-dimethoxybenzamide (CID 35762282) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,3-dimethoxybenzamide is CCn1ncc(CNC(=O)c2cccc(OC)c2OC)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,3-dimethoxybenzamide?
The InChIKey is VLHGTINQPVXPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-5-19-11(2)12(10-18-19)9-17-16(20)13-7-6-8-14(21-3)15(13)22-4/h6-8,10H,5,9H2,1-4H3,(H,17,20).
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,3-dimethoxybenzamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,3-dimethoxybenzamide has a molecular weight of 303.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 35762282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).