4-methyl-2-(1-propylpyrazol-4-yl)benzonitrile

C14H15N3 — CID 172915447

IUPAC4-methyl-2-(1-propylpyrazol-4-yl)benzonitrile
SMILESCCCn1cc(-c2cc(C)ccc2C#N)cn1
InChIInChI=1S/C14H15N3/c1-3-6-17-10-13(9-16-17)14-7-11(2)4-5-12(14)8-15/h4-5,7,9-10H,3,6H2,1-2H3
InChIKeyNFLNGXOCGNLELP-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.14
Rot. Bonds3

About 4-methyl-2-(1-propylpyrazol-4-yl)benzonitrile

4-methyl-2-(1-propylpyrazol-4-yl)benzonitrile (PubChem CID 172915447) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-methyl-2-(1-propylpyrazol-4-yl)benzonitrile.

Molecular Properties

Compound Name4-methyl-2-(1-propylpyrazol-4-yl)benzonitrile
PubChem CID172915447
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name4-methyl-2-(1-propylpyrazol-4-yl)benzonitrile
SMILESCCCn1cc(-c2cc(C)ccc2C#N)cn1
InChIInChI=1S/C14H15N3/c1-3-6-17-10-13(9-16-17)14-7-11(2)4-5-12(14)8-15/h4-5,7,9-10H,3,6H2,1-2H3
InChIKeyNFLNGXOCGNLELP-UHFFFAOYSA-N
XLogP3.14
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-propylpyrazol-4-yl)benzonitrile?
The IUPAC name of 4-methyl-2-(1-propylpyrazol-4-yl)benzonitrile (CID 172915447) is 4-methyl-2-(1-propylpyrazol-4-yl)benzonitrile.
What is the SMILES notation for 4-methyl-2-(1-propylpyrazol-4-yl)benzonitrile?
The canonical SMILES for 4-methyl-2-(1-propylpyrazol-4-yl)benzonitrile is CCCn1cc(-c2cc(C)ccc2C#N)cn1.
What is the InChIKey of 4-methyl-2-(1-propylpyrazol-4-yl)benzonitrile?
The InChIKey is NFLNGXOCGNLELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-3-6-17-10-13(9-16-17)14-7-11(2)4-5-12(14)8-15/h4-5,7,9-10H,3,6H2,1-2H3.
What are the key properties of 4-methyl-2-(1-propylpyrazol-4-yl)benzonitrile?
4-methyl-2-(1-propylpyrazol-4-yl)benzonitrile has a molecular weight of 225.29 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-propylpyrazol-4-yl)benzonitrile is sourced from PubChem (CID 172915447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).