4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbenzonitrile

C15H17N3 — CID 81281768

IUPAC4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbenzonitrile
SMILESCCc1c(C)nn(-c2ccc(C#N)c(C)c2)c1C
InChIInChI=1S/C15H17N3/c1-5-15-11(3)17-18(12(15)4)14-7-6-13(9-16)10(2)8-14/h6-8H,5H2,1-4H3
InChIKeyPCPCFPCREPBWHG-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.23
Rot. Bonds2

About 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbenzonitrile

4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbenzonitrile (PubChem CID 81281768) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbenzonitrile.

Molecular Properties

Compound Name4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbenzonitrile
PubChem CID81281768
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbenzonitrile
SMILESCCc1c(C)nn(-c2ccc(C#N)c(C)c2)c1C
InChIInChI=1S/C15H17N3/c1-5-15-11(3)17-18(12(15)4)14-7-6-13(9-16)10(2)8-14/h6-8H,5H2,1-4H3
InChIKeyPCPCFPCREPBWHG-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbenzonitrile?
The IUPAC name of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbenzonitrile (CID 81281768) is 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbenzonitrile.
What is the SMILES notation for 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbenzonitrile?
The canonical SMILES for 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbenzonitrile is CCc1c(C)nn(-c2ccc(C#N)c(C)c2)c1C.
What is the InChIKey of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbenzonitrile?
The InChIKey is PCPCFPCREPBWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-5-15-11(3)17-18(12(15)4)14-7-6-13(9-16)10(2)8-14/h6-8H,5H2,1-4H3.
What are the key properties of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbenzonitrile?
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbenzonitrile has a molecular weight of 239.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbenzonitrile is sourced from PubChem (CID 81281768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).