1-[(4-methoxyphenyl)methyl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)triazole-4-carboxamide

C16H18N6O2 — CID 25283721

IUPAC1-[(4-methoxyphenyl)methyl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)triazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)N(C)Cc3ccn[nH]3)nn2)cc1
InChIInChI=1S/C16H18N6O2/c1-21(10-13-7-8-17-18-13)16(23)15-11-22(20-19-15)9-12-3-5-14(24-2)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,17,18)
InChIKeyHHUBIDCLAFRZNL-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.33
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)triazole-4-carboxamide

1-[(4-methoxyphenyl)methyl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)triazole-4-carboxamide (PubChem CID 25283721) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)triazole-4-carboxamide
PubChem CID25283721
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name1-[(4-methoxyphenyl)methyl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)triazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)N(C)Cc3ccn[nH]3)nn2)cc1
InChIInChI=1S/C16H18N6O2/c1-21(10-13-7-8-17-18-13)16(23)15-11-22(20-19-15)9-12-3-5-14(24-2)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,17,18)
InChIKeyHHUBIDCLAFRZNL-UHFFFAOYSA-N
XLogP1.33
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(4-methoxyphenyl)methyl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)triazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)triazole-4-carboxamide (CID 25283721) is 1-[(4-methoxyphenyl)methyl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)triazole-4-carboxamide is COc1ccc(Cn2cc(C(=O)N(C)Cc3ccn[nH]3)nn2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)triazole-4-carboxamide?
The InChIKey is HHUBIDCLAFRZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-21(10-13-7-8-17-18-13)16(23)15-11-22(20-19-15)9-12-3-5-14(24-2)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)triazole-4-carboxamide?
1-[(4-methoxyphenyl)methyl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)triazole-4-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 25283721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).