2-methyl-5-(1-methylpyrazol-4-yl)-3-(tetrazol-2-yl)benzonitrile

C13H11N7 — CID 90033319

IUPAC2-methyl-5-(1-methylpyrazol-4-yl)-3-(tetrazol-2-yl)benzonitrile
SMILESCc1c(C#N)cc(-c2cnn(C)c2)cc1-n1ncnn1
InChIInChI=1S/C13H11N7/c1-9-11(5-14)3-10(12-6-16-19(2)7-12)4-13(9)20-17-8-15-18-20/h3-4,6-8H,1-2H3
InChIKeyQIGMOTUPRRSEIG-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.24
Rot. Bonds2

About 2-methyl-5-(1-methylpyrazol-4-yl)-3-(tetrazol-2-yl)benzonitrile

2-methyl-5-(1-methylpyrazol-4-yl)-3-(tetrazol-2-yl)benzonitrile (PubChem CID 90033319) has the molecular formula C13H11N7 and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-methyl-5-(1-methylpyrazol-4-yl)-3-(tetrazol-2-yl)benzonitrile.

Molecular Properties

Compound Name2-methyl-5-(1-methylpyrazol-4-yl)-3-(tetrazol-2-yl)benzonitrile
PubChem CID90033319
Molecular FormulaC13H11N7
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2-methyl-5-(1-methylpyrazol-4-yl)-3-(tetrazol-2-yl)benzonitrile
SMILESCc1c(C#N)cc(-c2cnn(C)c2)cc1-n1ncnn1
InChIInChI=1S/C13H11N7/c1-9-11(5-14)3-10(12-6-16-19(2)7-12)4-13(9)20-17-8-15-18-20/h3-4,6-8H,1-2H3
InChIKeyQIGMOTUPRRSEIG-UHFFFAOYSA-N
XLogP1.24
TPSA85.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-methyl-3-(1H-pyrazol-1-yl)phenyl]-2H-tetrazole
CID 49874553
3-Fluoro-5-[5-(1-methylpyrazol-3-yl)tetrazol-2-yl]benzonitrile
CID 9814025
N-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]methanimine
CID 176984928
2,3-Dimethyl-6-pyrazol-1-ylbenzonitrile
CID 135057008
2-amino-6-fluoro-4-(1-propyl-1H-pyrazol-4-yl)benzonitrile
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3-[5-(1-Methylpyrazol-3-yl)tetrazol-2-yl]benzonitrile
CID 9899723
1-methyl-3-[(1,2,3,3,6-pentamethyl-2H-indol-5-yl)diazenyl]pyrazole-4-carbonitrile
CID 20650588
1,4-Di(pyrazol-1-yl)naphthalene-2,3-dicarbonitrile
CID 58838850
3-[5-(2-Methylpyrazol-3-yl)tetrazol-2-yl]benzonitrile
CID 58929376
2-[3-Amino-5-(1-methylpyrazol-4-yl)phenyl]acetonitrile
CID 59325557
2-Benzyl-5-[1-(2,3-dimethylphenyl)pyrazol-4-yl]tetrazole
CID 90029398
4-[[5-[1-(2,3-Dimethylphenyl)-3-iodopyrazol-4-yl]tetrazol-2-yl]methyl]benzonitrile
CID 90030244

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methylpyrazol-4-yl)-3-(tetrazol-2-yl)benzonitrile?
The IUPAC name of 2-methyl-5-(1-methylpyrazol-4-yl)-3-(tetrazol-2-yl)benzonitrile (CID 90033319) is 2-methyl-5-(1-methylpyrazol-4-yl)-3-(tetrazol-2-yl)benzonitrile.
What is the SMILES notation for 2-methyl-5-(1-methylpyrazol-4-yl)-3-(tetrazol-2-yl)benzonitrile?
The canonical SMILES for 2-methyl-5-(1-methylpyrazol-4-yl)-3-(tetrazol-2-yl)benzonitrile is Cc1c(C#N)cc(-c2cnn(C)c2)cc1-n1ncnn1.
What is the InChIKey of 2-methyl-5-(1-methylpyrazol-4-yl)-3-(tetrazol-2-yl)benzonitrile?
The InChIKey is QIGMOTUPRRSEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7/c1-9-11(5-14)3-10(12-6-16-19(2)7-12)4-13(9)20-17-8-15-18-20/h3-4,6-8H,1-2H3.
What are the key properties of 2-methyl-5-(1-methylpyrazol-4-yl)-3-(tetrazol-2-yl)benzonitrile?
2-methyl-5-(1-methylpyrazol-4-yl)-3-(tetrazol-2-yl)benzonitrile has a molecular weight of 265.28 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methylpyrazol-4-yl)-3-(tetrazol-2-yl)benzonitrile is sourced from PubChem (CID 90033319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).