2-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]benzonitrile

C20H16N4O — CID 86859770

IUPAC2-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccccc1C(=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C20H16N4O/c21-11-14-5-1-2-6-16(14)17-7-3-4-8-18(17)20(25)24-10-9-19-15(13-24)12-22-23-19/h1-8,12H,9-10,13H2,(H,22,23)
InChIKeyVNFOTRZLRAQGEK-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.15
Rot. Bonds2

About 2-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]benzonitrile

2-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]benzonitrile (PubChem CID 86859770) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]benzonitrile
PubChem CID86859770
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name2-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccccc1C(=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C20H16N4O/c21-11-14-5-1-2-6-16(14)17-7-3-4-8-18(17)20(25)24-10-9-19-15(13-24)12-22-23-19/h1-8,12H,9-10,13H2,(H,22,23)
InChIKeyVNFOTRZLRAQGEK-UHFFFAOYSA-N
XLogP3.15
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indazol-7-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859698
(3-bromo-2-chlorophenyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 75518637
1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[2-(triazol-1-yl)phenyl]methanone
CID 86788476
1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 139328420
(2-bromo-4-nitrophenyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 99809949
2-chloro-4-(3-methylbutan-2-yloxy)-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)benzonitrile
CID 148843870
2-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile
CID 111561000
2-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzonitrile
CID 51197855
1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[4-(trifluoromethylsulfanyl)phenyl]methanone
CID 86859783
2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzonitrile
CID 51197764
1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one
CID 75377385
[2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 70758004

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]benzonitrile?
The IUPAC name of 2-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]benzonitrile (CID 86859770) is 2-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]benzonitrile.
What is the SMILES notation for 2-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]benzonitrile?
The canonical SMILES for 2-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]benzonitrile is N#Cc1ccccc1-c1ccccc1C(=O)N1CCc2[nH]ncc2C1.
What is the InChIKey of 2-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]benzonitrile?
The InChIKey is VNFOTRZLRAQGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c21-11-14-5-1-2-6-16(14)17-7-3-4-8-18(17)20(25)24-10-9-19-15(13-24)12-22-23-19/h1-8,12H,9-10,13H2,(H,22,23).
What are the key properties of 2-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]benzonitrile?
2-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]benzonitrile has a molecular weight of 328.38 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]benzonitrile is sourced from PubChem (CID 86859770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).