1-(2,6-dimethylphenyl)-5-propan-2-ylpyrazole-4-carbonitrile

C15H17N3 — CID 82292526

IUPAC1-(2,6-dimethylphenyl)-5-propan-2-ylpyrazole-4-carbonitrile
SMILESCc1cccc(C)c1-n1ncc(C#N)c1C(C)C
InChIInChI=1S/C15H17N3/c1-10(2)14-13(8-16)9-17-18(14)15-11(3)6-5-7-12(15)4/h5-7,9-10H,1-4H3
InChIKeyWTMHBUWMUVLXOE-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.48
Rot. Bonds2

About 1-(2,6-dimethylphenyl)-5-propan-2-ylpyrazole-4-carbonitrile

1-(2,6-dimethylphenyl)-5-propan-2-ylpyrazole-4-carbonitrile (PubChem CID 82292526) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-5-propan-2-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-5-propan-2-ylpyrazole-4-carbonitrile
PubChem CID82292526
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name1-(2,6-dimethylphenyl)-5-propan-2-ylpyrazole-4-carbonitrile
SMILESCc1cccc(C)c1-n1ncc(C#N)c1C(C)C
InChIInChI=1S/C15H17N3/c1-10(2)14-13(8-16)9-17-18(14)15-11(3)6-5-7-12(15)4/h5-7,9-10H,1-4H3
InChIKeyWTMHBUWMUVLXOE-UHFFFAOYSA-N
XLogP3.48
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonitrile
CID 82294958
4-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 59811854
5-butan-2-yl-1-methylpyrazole-4-carbonitrile
CID 90875351
2-(3,5-diethylpyrazol-1-yl)-3-methylbenzonitrile
CID 107107403
2-[4-(1-cyanoethyl)piperazin-1-yl]-3-methylbenzonitrile
CID 107106229
2-methyl-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 82397314
4-(chloromethyl)-1-(2,6-dimethylphenyl)-5-methylpyrazole
CID 82528507
2-ethynyl-3-methylbenzonitrile
CID 173092424
5-iodo-1-propan-2-ylpyrazole-4-carbonitrile
CID 58204841
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanenitrile
CID 51184736
N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 167949292
2-methylbenzonitrile
CID 162098401

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-5-propan-2-ylpyrazole-4-carbonitrile?
The IUPAC name of 1-(2,6-dimethylphenyl)-5-propan-2-ylpyrazole-4-carbonitrile (CID 82292526) is 1-(2,6-dimethylphenyl)-5-propan-2-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-5-propan-2-ylpyrazole-4-carbonitrile?
The canonical SMILES for 1-(2,6-dimethylphenyl)-5-propan-2-ylpyrazole-4-carbonitrile is Cc1cccc(C)c1-n1ncc(C#N)c1C(C)C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-5-propan-2-ylpyrazole-4-carbonitrile?
The InChIKey is WTMHBUWMUVLXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-10(2)14-13(8-16)9-17-18(14)15-11(3)6-5-7-12(15)4/h5-7,9-10H,1-4H3.
What are the key properties of 1-(2,6-dimethylphenyl)-5-propan-2-ylpyrazole-4-carbonitrile?
1-(2,6-dimethylphenyl)-5-propan-2-ylpyrazole-4-carbonitrile has a molecular weight of 239.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-5-propan-2-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 82292526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).