N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide

C21H24N4O2 — CID 118662907

IUPACN-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)NCc2cccc(CN(C)C)c2)ccc1-c1cn[nH]c1
InChIInChI=1S/C21H24N4O2/c1-25(2)14-16-6-4-5-15(9-16)11-22-21(26)17-7-8-19(20(10-17)27-3)18-12-23-24-13-18/h4-10,12-13H,11,14H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyGRLGITMOQAPTDO-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.08
Rot. Bonds7

About N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide

N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118662907) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118662907
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)NCc2cccc(CN(C)C)c2)ccc1-c1cn[nH]c1
InChIInChI=1S/C21H24N4O2/c1-25(2)14-16-6-4-5-15(9-16)11-22-21(26)17-7-8-19(20(10-17)27-3)18-12-23-24-13-18/h4-10,12-13H,11,14H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyGRLGITMOQAPTDO-UHFFFAOYSA-N
XLogP3.08
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662965
N-[(3,4-difluorophenyl)methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 85470509
N-[(2,6-difluorophenyl)methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662908
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662928
3-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118663073
6-(dimethylamino)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 37273166
3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(5-methyl-1H-pyrazol-4-yl)benzamide
CID 90353897
N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-3,4,5-trimethoxybenzamide
CID 25054826
N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-4-methoxy-3-methylbenzamide
CID 25054568
3-methoxy-N-[1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 85470505
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(2R)-4-hydroxy-2-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide
CID 118878958

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide (CID 118662907) is N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide is COc1cc(C(=O)NCc2cccc(CN(C)C)c2)ccc1-c1cn[nH]c1.
What is the InChIKey of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is GRLGITMOQAPTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-25(2)14-16-6-4-5-15(9-16)11-22-21(26)17-7-8-19(20(10-17)27-3)18-12-23-24-13-18/h4-10,12-13H,11,14H2,1-3H3,(H,22,26)(H,23,24).
What are the key properties of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118662907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).