1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[2-(triazol-1-yl)phenyl]methanone

C15H14N6O — CID 86788476

IUPAC1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[2-(triazol-1-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1ccnn1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C15H14N6O/c22-15(20-7-5-13-11(10-20)9-17-18-13)12-3-1-2-4-14(12)21-8-6-16-19-21/h1-4,6,8-9H,5,7,10H2,(H,17,18)
InChIKeyVMPXYQWICWSJIZ-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.19
Rot. Bonds2

About 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[2-(triazol-1-yl)phenyl]methanone

1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[2-(triazol-1-yl)phenyl]methanone (PubChem CID 86788476) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[2-(triazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[2-(triazol-1-yl)phenyl]methanone
PubChem CID86788476
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[2-(triazol-1-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1ccnn1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C15H14N6O/c22-15(20-7-5-13-11(10-20)9-17-18-13)12-3-1-2-4-14(12)21-8-6-16-19-21/h1-4,6,8-9H,5,7,10H2,(H,17,18)
InChIKeyVMPXYQWICWSJIZ-UHFFFAOYSA-N
XLogP1.19
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-indazol-7-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859698
2-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]benzonitrile
CID 86859770
(3-bromo-2-chlorophenyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 75518637
1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 139328420
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 154860046
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 99936128
1,1-dimethyl-3-[4-methyl-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]urea
CID 86778099
(2-bromo-4-nitrophenyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 99809949
[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-bicyclo[2.2.2]octanyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 166234515
1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[4-(trifluoromethylsulfanyl)phenyl]methanone
CID 86859783
[1-(2,4-dichlorophenyl)pyrazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859603
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859788

Frequently Asked Questions

What is the IUPAC name of 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[2-(triazol-1-yl)phenyl]methanone?
The IUPAC name of 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[2-(triazol-1-yl)phenyl]methanone (CID 86788476) is 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[2-(triazol-1-yl)phenyl]methanone.
What is the SMILES notation for 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[2-(triazol-1-yl)phenyl]methanone?
The canonical SMILES for 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[2-(triazol-1-yl)phenyl]methanone is O=C(c1ccccc1-n1ccnn1)N1CCc2[nH]ncc2C1.
What is the InChIKey of 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[2-(triazol-1-yl)phenyl]methanone?
The InChIKey is VMPXYQWICWSJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c22-15(20-7-5-13-11(10-20)9-17-18-13)12-3-1-2-4-14(12)21-8-6-16-19-21/h1-4,6,8-9H,5,7,10H2,(H,17,18).
What are the key properties of 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[2-(triazol-1-yl)phenyl]methanone?
1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[2-(triazol-1-yl)phenyl]methanone has a molecular weight of 294.32 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[2-(triazol-1-yl)phenyl]methanone is sourced from PubChem (CID 86788476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).