1-ethyl-5-(2-naphthalen-1-ylethyl)-3-phenylpyrazole-4-carbonitrile

C24H21N3 — CID 46887469

IUPAC1-ethyl-5-(2-naphthalen-1-ylethyl)-3-phenylpyrazole-4-carbonitrile
SMILESCCn1nc(-c2ccccc2)c(C#N)c1CCc1cccc2ccccc12
InChIInChI=1S/C24H21N3/c1-2-27-23(22(17-25)24(26-27)20-10-4-3-5-11-20)16-15-19-13-8-12-18-9-6-7-14-21(18)19/h3-14H,2,15-16H2,1H3
InChIKeySYCUYUTXCSSAPJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.38
Rot. Bonds5

About 1-ethyl-5-(2-naphthalen-1-ylethyl)-3-phenylpyrazole-4-carbonitrile

1-ethyl-5-(2-naphthalen-1-ylethyl)-3-phenylpyrazole-4-carbonitrile (PubChem CID 46887469) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-ethyl-5-(2-naphthalen-1-ylethyl)-3-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-ethyl-5-(2-naphthalen-1-ylethyl)-3-phenylpyrazole-4-carbonitrile
PubChem CID46887469
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name1-ethyl-5-(2-naphthalen-1-ylethyl)-3-phenylpyrazole-4-carbonitrile
SMILESCCn1nc(-c2ccccc2)c(C#N)c1CCc1cccc2ccccc12
InChIInChI=1S/C24H21N3/c1-2-27-23(22(17-25)24(26-27)20-10-4-3-5-11-20)16-15-19-13-8-12-18-9-6-7-14-21(18)19/h3-14H,2,15-16H2,1H3
InChIKeySYCUYUTXCSSAPJ-UHFFFAOYSA-N
XLogP5.38
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(2-naphthalen-1-ylethyl)-3-phenylpyrazole-4-carbonitrile?
The IUPAC name of 1-ethyl-5-(2-naphthalen-1-ylethyl)-3-phenylpyrazole-4-carbonitrile (CID 46887469) is 1-ethyl-5-(2-naphthalen-1-ylethyl)-3-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 1-ethyl-5-(2-naphthalen-1-ylethyl)-3-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 1-ethyl-5-(2-naphthalen-1-ylethyl)-3-phenylpyrazole-4-carbonitrile is CCn1nc(-c2ccccc2)c(C#N)c1CCc1cccc2ccccc12.
What is the InChIKey of 1-ethyl-5-(2-naphthalen-1-ylethyl)-3-phenylpyrazole-4-carbonitrile?
The InChIKey is SYCUYUTXCSSAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c1-2-27-23(22(17-25)24(26-27)20-10-4-3-5-11-20)16-15-19-13-8-12-18-9-6-7-14-21(18)19/h3-14H,2,15-16H2,1H3.
What are the key properties of 1-ethyl-5-(2-naphthalen-1-ylethyl)-3-phenylpyrazole-4-carbonitrile?
1-ethyl-5-(2-naphthalen-1-ylethyl)-3-phenylpyrazole-4-carbonitrile has a molecular weight of 351.45 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(2-naphthalen-1-ylethyl)-3-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 46887469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).