N-methyl-3-(pyrazol-1-ylmethyl)-N-(quinolin-4-ylmethyl)benzamide

C22H20N4O — CID 50982439

IUPACN-methyl-3-(pyrazol-1-ylmethyl)-N-(quinolin-4-ylmethyl)benzamide
SMILESCN(Cc1ccnc2ccccc12)C(=O)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C22H20N4O/c1-25(16-19-10-12-23-21-9-3-2-8-20(19)21)22(27)18-7-4-6-17(14-18)15-26-13-5-11-24-26/h2-14H,15-16H2,1H3
InChIKeySWZAGOSRKQXNAW-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.75
Rot. Bonds5

About N-methyl-3-(pyrazol-1-ylmethyl)-N-(quinolin-4-ylmethyl)benzamide

N-methyl-3-(pyrazol-1-ylmethyl)-N-(quinolin-4-ylmethyl)benzamide (PubChem CID 50982439) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-methyl-3-(pyrazol-1-ylmethyl)-N-(quinolin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-3-(pyrazol-1-ylmethyl)-N-(quinolin-4-ylmethyl)benzamide
PubChem CID50982439
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-methyl-3-(pyrazol-1-ylmethyl)-N-(quinolin-4-ylmethyl)benzamide
SMILESCN(Cc1ccnc2ccccc12)C(=O)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C22H20N4O/c1-25(16-19-10-12-23-21-9-3-2-8-20(19)21)22(27)18-7-4-6-17(14-18)15-26-13-5-11-24-26/h2-14H,15-16H2,1H3
InChIKeySWZAGOSRKQXNAW-UHFFFAOYSA-N
XLogP3.75
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide
CID 19449951
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide
CID 70732520
N-[2-(3-ethylphenoxy)ethyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide
CID 70720863
N-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide
CID 56863740
N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide
CID 110076601
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
N-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047303
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
CID 41358025
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 56909821
2-[methyl-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid
CID 91792545
N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 163312905

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(pyrazol-1-ylmethyl)-N-(quinolin-4-ylmethyl)benzamide?
The IUPAC name of N-methyl-3-(pyrazol-1-ylmethyl)-N-(quinolin-4-ylmethyl)benzamide (CID 50982439) is N-methyl-3-(pyrazol-1-ylmethyl)-N-(quinolin-4-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-3-(pyrazol-1-ylmethyl)-N-(quinolin-4-ylmethyl)benzamide?
The canonical SMILES for N-methyl-3-(pyrazol-1-ylmethyl)-N-(quinolin-4-ylmethyl)benzamide is CN(Cc1ccnc2ccccc12)C(=O)c1cccc(Cn2cccn2)c1.
What is the InChIKey of N-methyl-3-(pyrazol-1-ylmethyl)-N-(quinolin-4-ylmethyl)benzamide?
The InChIKey is SWZAGOSRKQXNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-25(16-19-10-12-23-21-9-3-2-8-20(19)21)22(27)18-7-4-6-17(14-18)15-26-13-5-11-24-26/h2-14H,15-16H2,1H3.
What are the key properties of N-methyl-3-(pyrazol-1-ylmethyl)-N-(quinolin-4-ylmethyl)benzamide?
N-methyl-3-(pyrazol-1-ylmethyl)-N-(quinolin-4-ylmethyl)benzamide has a molecular weight of 356.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(pyrazol-1-ylmethyl)-N-(quinolin-4-ylmethyl)benzamide is sourced from PubChem (CID 50982439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).