4-(2-methoxyphenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide

C21H23N3O2 — CID 77081979

IUPAC4-(2-methoxyphenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCOc1ccccc1-c1ccc(C(=O)N(C)CCc2cnn(C)c2)cc1
InChIInChI=1S/C21H23N3O2/c1-23(13-12-16-14-22-24(2)15-16)21(25)18-10-8-17(9-11-18)19-6-4-5-7-20(19)26-3/h4-11,14-15H,12-13H2,1-3H3
InChIKeyDLLNKGVMKGMJHA-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.41
Rot. Bonds6

About 4-(2-methoxyphenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide

4-(2-methoxyphenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide (PubChem CID 77081979) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
PubChem CID77081979
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-(2-methoxyphenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCOc1ccccc1-c1ccc(C(=O)N(C)CCc2cnn(C)c2)cc1
InChIInChI=1S/C21H23N3O2/c1-23(13-12-16-14-22-24(2)15-16)21(25)18-10-8-17(9-11-18)19-6-4-5-7-20(19)26-3/h4-11,14-15H,12-13H2,1-3H3
InChIKeyDLLNKGVMKGMJHA-UHFFFAOYSA-N
XLogP3.41
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide (CID 77081979) is 4-(2-methoxyphenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide is COc1ccccc1-c1ccc(C(=O)N(C)CCc2cnn(C)c2)cc1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is DLLNKGVMKGMJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-23(13-12-16-14-22-24(2)15-16)21(25)18-10-8-17(9-11-18)19-6-4-5-7-20(19)26-3/h4-11,14-15H,12-13H2,1-3H3.
What are the key properties of 4-(2-methoxyphenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
4-(2-methoxyphenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 77081979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).