N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide

C21H23N3O4 — CID 42685636

IUPACN-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide
SMILESCCc1[nH]nc(-c2ccc(OC)c(OC)c2)c1NC(=O)c1ccccc1OC
InChIInChI=1S/C21H23N3O4/c1-5-15-20(22-21(25)14-8-6-7-9-16(14)26-2)19(24-23-15)13-10-11-17(27-3)18(12-13)28-4/h6-12H,5H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyBOWAJDZFZZJNKZ-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.92
Rot. Bonds7

About N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide

N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide (PubChem CID 42685636) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide
PubChem CID42685636
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide
SMILESCCc1[nH]nc(-c2ccc(OC)c(OC)c2)c1NC(=O)c1ccccc1OC
InChIInChI=1S/C21H23N3O4/c1-5-15-20(22-21(25)14-8-6-7-9-16(14)26-2)19(24-23-15)13-10-11-17(27-3)18(12-13)28-4/h6-12H,5H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyBOWAJDZFZZJNKZ-UHFFFAOYSA-N
XLogP3.92
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-tert-butylphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide
CID 42686670
N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-methoxybenzamide
CID 42687302
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42686892
N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42687684
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methoxybenzamide
CID 53198463
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-3-methoxybenzamide
CID 42685722
benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide)
CID 175653128
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methoxyacetamide
CID 42685728
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 1347169
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide
CID 7711063
N-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 42685691
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
CID 7646628

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide (CID 42685636) is N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide is CCc1[nH]nc(-c2ccc(OC)c(OC)c2)c1NC(=O)c1ccccc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide?
The InChIKey is BOWAJDZFZZJNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-5-15-20(22-21(25)14-8-6-7-9-16(14)26-2)19(24-23-15)13-10-11-17(27-3)18(12-13)28-4/h6-12H,5H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide?
N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide has a molecular weight of 381.43 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 42685636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).