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

C19H25N7O — CID 122569858

IUPAC4-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCCn1nc(-c2ccc(C(=O)N(C)Cc3cnn(C)c3)cc2)nc1N(C)C
InChIInChI=1S/C19H25N7O/c1-6-26-19(23(2)3)21-17(22-26)15-7-9-16(10-8-15)18(27)24(4)12-14-11-20-25(5)13-14/h7-11,13H,6,12H2,1-5H3
InChIKeyQUUQIBGEQKATJY-UHFFFAOYSA-N
MW367.46 g/mol
LogP2.04
Rot. Bonds6

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

4-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 122569858) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 4-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID122569858
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name4-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCCn1nc(-c2ccc(C(=O)N(C)Cc3cnn(C)c3)cc2)nc1N(C)C
InChIInChI=1S/C19H25N7O/c1-6-26-19(23(2)3)21-17(22-26)15-7-9-16(10-8-15)18(27)24(4)12-14-11-20-25(5)13-14/h7-11,13H,6,12H2,1-5H3
InChIKeyQUUQIBGEQKATJY-UHFFFAOYSA-N
XLogP2.04
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-[5-(dimethylamino)-1-methyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 118785992
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62176856
3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905632
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
N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 86908026
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
CID 130678775
4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31844154
1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477840
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843876
N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide
CID 39969648

Frequently Asked Questions

What is the IUPAC name of 4-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 122569858) is 4-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is CCn1nc(-c2ccc(C(=O)N(C)Cc3cnn(C)c3)cc2)nc1N(C)C.
What is the InChIKey of 4-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is QUUQIBGEQKATJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-6-26-19(23(2)3)21-17(22-26)15-7-9-16(10-8-15)18(27)24(4)12-14-11-20-25(5)13-14/h7-11,13H,6,12H2,1-5H3.
What are the key properties of 4-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
4-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 367.46 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 122569858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).