N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide

C19H17N7O — CID 122245887

IUPACN-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide
SMILESCn1cc(-c2cc(CNC(=O)c3cnn(-c4ccccc4)n3)ccn2)cn1
InChIInChI=1S/C19H17N7O/c1-25-13-15(11-22-25)17-9-14(7-8-20-17)10-21-19(27)18-12-23-26(24-18)16-5-3-2-4-6-16/h2-9,11-13H,10H2,1H3,(H,21,27)
InChIKeyHOQWVKQWYLHOEZ-UHFFFAOYSA-N
MW359.39 g/mol
LogP1.99
Rot. Bonds5

About N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide

N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide (PubChem CID 122245887) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide
PubChem CID122245887
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC NameN-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide
SMILESCn1cc(-c2cc(CNC(=O)c3cnn(-c4ccccc4)n3)ccn2)cn1
InChIInChI=1S/C19H17N7O/c1-25-13-15(11-22-25)17-9-14(7-8-20-17)10-21-19(27)18-12-23-26(24-18)16-5-3-2-4-6-16/h2-9,11-13H,10H2,1H3,(H,21,27)
InChIKeyHOQWVKQWYLHOEZ-UHFFFAOYSA-N
XLogP1.99
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]urea
CID 122245913
N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 122245898
5-bromo-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide
CID 122245890
2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 134036061
3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 126851451
N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide
CID 121020007
N-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 9400525
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]acetamide
CID 126853801
N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 3916665
1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 122245906
6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-indole-2-carboxamide
CID 122245900
N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
CID 126851452

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide (CID 122245887) is N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide is Cn1cc(-c2cc(CNC(=O)c3cnn(-c4ccccc4)n3)ccn2)cn1.
What is the InChIKey of N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide?
The InChIKey is HOQWVKQWYLHOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-25-13-15(11-22-25)17-9-14(7-8-20-17)10-21-19(27)18-12-23-26(24-18)16-5-3-2-4-6-16/h2-9,11-13H,10H2,1H3,(H,21,27).
What are the key properties of N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide?
N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 122245887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).