3-anilino-1-phenylpyrazole-4-carbonitrile

C16H12N4 — CID 67254303

IUPAC3-anilino-1-phenylpyrazole-4-carbonitrile
SMILESN#Cc1cn(-c2ccccc2)nc1Nc1ccccc1
InChIInChI=1S/C16H12N4/c17-11-13-12-20(15-9-5-2-6-10-15)19-16(13)18-14-7-3-1-4-8-14/h1-10,12H,(H,18,19)
InChIKeyDWLRUKWVJUTNSN-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.49
Rot. Bonds3

About 3-anilino-1-phenylpyrazole-4-carbonitrile

3-anilino-1-phenylpyrazole-4-carbonitrile (PubChem CID 67254303) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-anilino-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-anilino-1-phenylpyrazole-4-carbonitrile
PubChem CID67254303
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name3-anilino-1-phenylpyrazole-4-carbonitrile
SMILESN#Cc1cn(-c2ccccc2)nc1Nc1ccccc1
InChIInChI=1S/C16H12N4/c17-11-13-12-20(15-9-5-2-6-10-15)19-16(13)18-14-7-3-1-4-8-14/h1-10,12H,(H,18,19)
InChIKeyDWLRUKWVJUTNSN-UHFFFAOYSA-N
XLogP3.49
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 3-anilino-1-phenylpyrazole-4-carbonitrile (CID 67254303) is 3-anilino-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 3-anilino-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 3-anilino-1-phenylpyrazole-4-carbonitrile is N#Cc1cn(-c2ccccc2)nc1Nc1ccccc1.
What is the InChIKey of 3-anilino-1-phenylpyrazole-4-carbonitrile?
The InChIKey is DWLRUKWVJUTNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c17-11-13-12-20(15-9-5-2-6-10-15)19-16(13)18-14-7-3-1-4-8-14/h1-10,12H,(H,18,19).
What are the key properties of 3-anilino-1-phenylpyrazole-4-carbonitrile?
3-anilino-1-phenylpyrazole-4-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 67254303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).