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

C16H18N6O — CID 122561579

IUPAC4-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1nc(-c2ccc(C(=O)NCc3cnn(C)c3)cc2)nn1C
InChIInChI=1S/C16H18N6O/c1-11-19-15(20-22(11)3)13-4-6-14(7-5-13)16(23)17-8-12-9-18-21(2)10-12/h4-7,9-10H,8H2,1-3H3,(H,17,23)
InChIKeyWNLKSLQCOKNCCI-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.45
Rot. Bonds4

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

4-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 122561579) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID122561579
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name4-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1nc(-c2ccc(C(=O)NCc3cnn(C)c3)cc2)nn1C
InChIInChI=1S/C16H18N6O/c1-11-19-15(20-22(11)3)13-4-6-14(7-5-13)16(23)17-8-12-9-18-21(2)10-12/h4-7,9-10H,8H2,1-3H3,(H,17,23)
InChIKeyWNLKSLQCOKNCCI-UHFFFAOYSA-N
XLogP1.45
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375355
4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61343888
4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292350
3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 113434699
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide
CID 110469163
4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-3-sulfanylbenzamide
CID 107027465
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 146501058
5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 63861037
1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 86830436

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 122561579) is 4-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cc1nc(-c2ccc(C(=O)NCc3cnn(C)c3)cc2)nn1C.
What is the InChIKey of 4-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is WNLKSLQCOKNCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-11-19-15(20-22(11)3)13-4-6-14(7-5-13)16(23)17-8-12-9-18-21(2)10-12/h4-7,9-10H,8H2,1-3H3,(H,17,23).
What are the key properties of 4-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
4-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 310.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 122561579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).