N-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

C14H14N6O — CID 18152748

IUPACN-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(Cn3cncn3)cc2)n1
InChIInChI=1S/C14H14N6O/c1-19-7-6-13(18-19)17-14(21)12-4-2-11(3-5-12)8-20-10-15-9-16-20/h2-7,9-10H,8H2,1H3,(H,17,18,21)
InChIKeySKQMMHZYBWPAHA-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.31
Rot. Bonds4

About N-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 18152748) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID18152748
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC NameN-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(Cn3cncn3)cc2)n1
InChIInChI=1S/C14H14N6O/c1-19-7-6-13(18-19)17-14(21)12-4-2-11(3-5-12)8-20-10-15-9-16-20/h2-7,9-10H,8H2,1H3,(H,17,18,21)
InChIKeySKQMMHZYBWPAHA-UHFFFAOYSA-N
XLogP1.31
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
N-(1-methylpyrazol-3-yl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide
CID 19405002
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394811
4-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 4865337
ethyl 4-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]benzoate
CID 42063924
N-(2-methyl-6-propan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 43040959
N-(3-iodo-4-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24590803
N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 92583010
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 30873270
4-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18145582
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 18152748) is N-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is Cn1ccc(NC(=O)c2ccc(Cn3cncn3)cc2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is SKQMMHZYBWPAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-19-7-6-13(18-19)17-14(21)12-4-2-11(3-5-12)8-20-10-15-9-16-20/h2-7,9-10H,8H2,1H3,(H,17,18,21).
What are the key properties of N-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 282.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 18152748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).