6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile

C20H19N7 — CID 137371521

IUPAC6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCC(C)(C)Cn1cc(-c2ccc(C#N)nc2-c2ccc3n[nH]nc3c2)cn1
InChIInChI=1S/C20H19N7/c1-20(2,3)12-27-11-14(10-22-27)16-6-5-15(9-21)23-19(16)13-4-7-17-18(8-13)25-26-24-17/h4-8,10-11H,12H2,1-3H3,(H,24,25,26)
InChIKeyMYXHDJCSWWFVKT-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.80
Rot. Bonds3

About 6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile

6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile (PubChem CID 137371521) has the molecular formula C20H19N7 and a molecular weight of 357.42 g/mol. Its IUPAC name is 6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile
PubChem CID137371521
Molecular FormulaC20H19N7
Molecular Weight357.42 g/mol
Exact Mass357.17
IUPAC Name6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCC(C)(C)Cn1cc(-c2ccc(C#N)nc2-c2ccc3n[nH]nc3c2)cn1
InChIInChI=1S/C20H19N7/c1-20(2,3)12-27-11-14(10-22-27)16-6-5-15(9-21)23-19(16)13-4-7-17-18(8-13)25-26-24-17/h4-8,10-11H,12H2,1-3H3,(H,24,25,26)
InChIKeyMYXHDJCSWWFVKT-UHFFFAOYSA-N
XLogP3.80
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylbenzotriazol-5-yl)pyridine-2-carbonitrile
CID 137373863
5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile
CID 137374338
5-[1-(2,2-difluoro-3-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
CID 151465416
5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile
CID 137390006
6-(2-methylimidazo[1,2-a]pyridin-7-yl)-5-[1-(4,4,4-trifluoro-2,2-dimethylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137373960
6-(1,2-dimethylbenzimidazol-5-yl)-5-[1-[(3-fluorocyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137390414
6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374374
5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile
CID 129285786
6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374153
6-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 142510542
6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137371251
6-quinolin-7-yl-5-[1-(spiro[2.2]pentan-2-ylmethyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 151401083

Frequently Asked Questions

What is the IUPAC name of 6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile (CID 137371521) is 6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile is CC(C)(C)Cn1cc(-c2ccc(C#N)nc2-c2ccc3n[nH]nc3c2)cn1.
What is the InChIKey of 6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile?
The InChIKey is MYXHDJCSWWFVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7/c1-20(2,3)12-27-11-14(10-22-27)16-6-5-15(9-21)23-19(16)13-4-7-17-18(8-13)25-26-24-17/h4-8,10-11H,12H2,1-3H3,(H,24,25,26).
What are the key properties of 6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile?
6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile has a molecular weight of 357.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137371521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).