N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

C20H21N3O3 — CID 2119550

IUPACN-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1OC
InChIInChI=1S/C20H21N3O3/c1-13-11-14(2)23(22-13)17-8-5-15(6-9-17)20(24)21-16-7-10-18(25-3)19(12-16)26-4/h5-12H,1-4H3,(H,21,24)
InChIKeyMFRYOSAKHOACKW-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.76
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 2119550) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID2119550
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1OC
InChIInChI=1S/C20H21N3O3/c1-13-11-14(2)23(22-13)17-8-5-15(6-9-17)20(24)21-16-7-10-18(25-3)19(12-16)26-4/h5-12H,1-4H3,(H,21,24)
InChIKeyMFRYOSAKHOACKW-UHFFFAOYSA-N
XLogP3.76
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 2119550) is N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is COc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is MFRYOSAKHOACKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-11-14(2)23(22-13)17-8-5-15(6-9-17)20(24)21-16-7-10-18(25-3)19(12-16)26-4/h5-12H,1-4H3,(H,21,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 351.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 2119550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).