3-[5-(dimethylamino)-1-methyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C18H23N7O — CID 118785992

IUPAC3-[5-(dimethylamino)-1-methyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cccc(-c2nc(N(C)C)n(C)n2)c1
InChIInChI=1S/C18H23N7O/c1-22(2)18-20-16(21-25(18)5)14-7-6-8-15(9-14)17(26)23(3)11-13-10-19-24(4)12-13/h6-10,12H,11H2,1-5H3
InChIKeyQAIBOFIOEQIJRV-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.55
Rot. Bonds5

About 3-[5-(dimethylamino)-1-methyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

3-[5-(dimethylamino)-1-methyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 118785992) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-[5-(dimethylamino)-1-methyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[5-(dimethylamino)-1-methyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID118785992
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name3-[5-(dimethylamino)-1-methyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cccc(-c2nc(N(C)C)n(C)n2)c1
InChIInChI=1S/C18H23N7O/c1-22(2)18-20-16(21-25(18)5)14-7-6-8-15(9-14)17(26)23(3)11-13-10-19-24(4)12-13/h6-10,12H,11H2,1-5H3
InChIKeyQAIBOFIOEQIJRV-UHFFFAOYSA-N
XLogP1.55
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 122569858
3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61439785
4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905633
3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843005
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905632
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 134037122
6-(3-bromophenyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 31849870
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
CID 146086977
N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486259
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991146
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441333

Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylamino)-1-methyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-[5-(dimethylamino)-1-methyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 118785992) is 3-[5-(dimethylamino)-1-methyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-[5-(dimethylamino)-1-methyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-[5-(dimethylamino)-1-methyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is CN(Cc1cnn(C)c1)C(=O)c1cccc(-c2nc(N(C)C)n(C)n2)c1.
What is the InChIKey of 3-[5-(dimethylamino)-1-methyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is QAIBOFIOEQIJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-22(2)18-20-16(21-25(18)5)14-7-6-8-15(9-14)17(26)23(3)11-13-10-19-24(4)12-13/h6-10,12H,11H2,1-5H3.
What are the key properties of 3-[5-(dimethylamino)-1-methyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
3-[5-(dimethylamino)-1-methyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 353.43 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylamino)-1-methyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 118785992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).