N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3-[4-(methylamino)phenyl]benzamide

C22H26N4O — CID 118777151

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3-[4-(methylamino)phenyl]benzamide
SMILESCNc1ccc(-c2cccc(C(=O)N(C)CCc3c(C)n[nH]c3C)c2)cc1
InChIInChI=1S/C22H26N4O/c1-15-21(16(2)25-24-15)12-13-26(4)22(27)19-7-5-6-18(14-19)17-8-10-20(23-3)11-9-17/h5-11,14,23H,12-13H2,1-4H3,(H,24,25)
InChIKeyLBMDYVFWDMYOFW-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.05
Rot. Bonds6

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3-[4-(methylamino)phenyl]benzamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3-[4-(methylamino)phenyl]benzamide (PubChem CID 118777151) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3-[4-(methylamino)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3-[4-(methylamino)phenyl]benzamide
PubChem CID118777151
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3-[4-(methylamino)phenyl]benzamide
SMILESCNc1ccc(-c2cccc(C(=O)N(C)CCc3c(C)n[nH]c3C)c2)cc1
InChIInChI=1S/C22H26N4O/c1-15-21(16(2)25-24-15)12-13-26(4)22(27)19-7-5-6-18(14-19)17-8-10-20(23-3)11-9-17/h5-11,14,23H,12-13H2,1-4H3,(H,24,25)
InChIKeyLBMDYVFWDMYOFW-UHFFFAOYSA-N
XLogP4.05
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3-[4-(methylamino)phenyl]benzamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3-[4-(methylamino)phenyl]benzamide (CID 118777151) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3-[4-(methylamino)phenyl]benzamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3-[4-(methylamino)phenyl]benzamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3-[4-(methylamino)phenyl]benzamide is CNc1ccc(-c2cccc(C(=O)N(C)CCc3c(C)n[nH]c3C)c2)cc1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3-[4-(methylamino)phenyl]benzamide?
The InChIKey is LBMDYVFWDMYOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15-21(16(2)25-24-15)12-13-26(4)22(27)19-7-5-6-18(14-19)17-8-10-20(23-3)11-9-17/h5-11,14,23H,12-13H2,1-4H3,(H,24,25).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3-[4-(methylamino)phenyl]benzamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3-[4-(methylamino)phenyl]benzamide has a molecular weight of 362.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3-[4-(methylamino)phenyl]benzamide is sourced from PubChem (CID 118777151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).