1-(2,5-dimethylphenyl)-3,5-dimethylpyrazole-4-carbonitrile

C14H15N3 — CID 39246638

IUPAC1-(2,5-dimethylphenyl)-3,5-dimethylpyrazole-4-carbonitrile
SMILESCc1ccc(C)c(-n2nc(C)c(C#N)c2C)c1
InChIInChI=1S/C14H15N3/c1-9-5-6-10(2)14(7-9)17-12(4)13(8-15)11(3)16-17/h5-7H,1-4H3
InChIKeyFYQBGOMKSSCZJC-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.98
Rot. Bonds1

About 1-(2,5-dimethylphenyl)-3,5-dimethylpyrazole-4-carbonitrile

1-(2,5-dimethylphenyl)-3,5-dimethylpyrazole-4-carbonitrile (PubChem CID 39246638) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3,5-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3,5-dimethylpyrazole-4-carbonitrile
PubChem CID39246638
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name1-(2,5-dimethylphenyl)-3,5-dimethylpyrazole-4-carbonitrile
SMILESCc1ccc(C)c(-n2nc(C)c(C#N)c2C)c1
InChIInChI=1S/C14H15N3/c1-9-5-6-10(2)14(7-9)17-12(4)13(8-15)11(3)16-17/h5-7H,1-4H3
InChIKeyFYQBGOMKSSCZJC-UHFFFAOYSA-N
XLogP2.98
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3,5-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 1-(2,5-dimethylphenyl)-3,5-dimethylpyrazole-4-carbonitrile (CID 39246638) is 1-(2,5-dimethylphenyl)-3,5-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3,5-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3,5-dimethylpyrazole-4-carbonitrile is Cc1ccc(C)c(-n2nc(C)c(C#N)c2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3,5-dimethylpyrazole-4-carbonitrile?
The InChIKey is FYQBGOMKSSCZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-9-5-6-10(2)14(7-9)17-12(4)13(8-15)11(3)16-17/h5-7H,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3,5-dimethylpyrazole-4-carbonitrile?
1-(2,5-dimethylphenyl)-3,5-dimethylpyrazole-4-carbonitrile has a molecular weight of 225.29 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3,5-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 39246638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).