N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methylpyrazole-3-carboxamide

C16H21N3O3 — CID 131899641

IUPACN-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methylpyrazole-3-carboxamide
SMILESCCN(Cc1cccc(OC)c1OC)C(=O)c1ccnn1C
InChIInChI=1S/C16H21N3O3/c1-5-19(16(20)13-9-10-17-18(13)2)11-12-7-6-8-14(21-3)15(12)22-4/h6-10H,5,11H2,1-4H3
InChIKeyNRYXJDBBZINXGF-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.10
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methylpyrazole-3-carboxamide

N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methylpyrazole-3-carboxamide (PubChem CID 131899641) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methylpyrazole-3-carboxamide
PubChem CID131899641
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methylpyrazole-3-carboxamide
SMILESCCN(Cc1cccc(OC)c1OC)C(=O)c1ccnn1C
InChIInChI=1S/C16H21N3O3/c1-5-19(16(20)13-9-10-17-18(13)2)11-12-7-6-8-14(21-3)15(12)22-4/h6-10H,5,11H2,1-4H3
InChIKeyNRYXJDBBZINXGF-UHFFFAOYSA-N
XLogP2.10
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
CID 61011424
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 62921137
3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-ethylurea
CID 91832714
N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine
CID 4658188
(2-bromo-6-methoxyphenyl) 2-methylpyrazole-3-carboxylate
CID 71968160
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxy-N-methylpyridine-2-carboxamide
CID 171676146
N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid
CID 163327128
N-[(2,3-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide
CID 18112055
1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625007
3-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-[[2-methoxy-3-(trifluoromethoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 122598551
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 131938566
[9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
CID 45205230

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methylpyrazole-3-carboxamide (CID 131899641) is N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methylpyrazole-3-carboxamide is CCN(Cc1cccc(OC)c1OC)C(=O)c1ccnn1C.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methylpyrazole-3-carboxamide?
The InChIKey is NRYXJDBBZINXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-5-19(16(20)13-9-10-17-18(13)2)11-12-7-6-8-14(21-3)15(12)22-4/h6-10H,5,11H2,1-4H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methylpyrazole-3-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methylpyrazole-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 131899641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).