4-(1-methyl-5-phenylpyrazol-3-yl)benzonitrile

C17H13N3 — CID 143438272

IUPAC4-(1-methyl-5-phenylpyrazol-3-yl)benzonitrile
SMILESCn1nc(-c2ccc(C#N)cc2)cc1-c1ccccc1
InChIInChI=1S/C17H13N3/c1-20-17(15-5-3-2-4-6-15)11-16(19-20)14-9-7-13(12-18)8-10-14/h2-11H,1H3
InChIKeyBWWGCCZEQRXLED-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.63
Rot. Bonds2

About 4-(1-methyl-5-phenylpyrazol-3-yl)benzonitrile

4-(1-methyl-5-phenylpyrazol-3-yl)benzonitrile (PubChem CID 143438272) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(1-methyl-5-phenylpyrazol-3-yl)benzonitrile.

Molecular Properties

Compound Name4-(1-methyl-5-phenylpyrazol-3-yl)benzonitrile
PubChem CID143438272
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name4-(1-methyl-5-phenylpyrazol-3-yl)benzonitrile
SMILESCn1nc(-c2ccc(C#N)cc2)cc1-c1ccccc1
InChIInChI=1S/C17H13N3/c1-20-17(15-5-3-2-4-6-15)11-16(19-20)14-9-7-13(12-18)8-10-14/h2-11H,1H3
InChIKeyBWWGCCZEQRXLED-UHFFFAOYSA-N
XLogP3.63
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
4-(5-methyl-4-phenyl-2-pyridinyl)benzonitrile
CID 168821635
4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]benzonitrile
CID 44542251
4-(5-chloro-3-phenylpyrazol-1-yl)benzonitrile
CID 66020965
4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]benzonitrile
CID 141141752
3-(3,5-diphenylpyrazol-1-yl)propanenitrile
CID 2055003
1-ethyl-3,5-diphenylpyrazole
CID 12665793
4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzonitrile
CID 141141743
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole
CID 22104457
4-[5-(bromomethyl)-1-phenylpyrazol-3-yl]benzonitrile
CID 156784166
4-[2-[5-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448003
4-[4-(furan-2-yl)-6-phenyl-2-pyridinyl]benzonitrile
CID 122366103

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-5-phenylpyrazol-3-yl)benzonitrile?
The IUPAC name of 4-(1-methyl-5-phenylpyrazol-3-yl)benzonitrile (CID 143438272) is 4-(1-methyl-5-phenylpyrazol-3-yl)benzonitrile.
What is the SMILES notation for 4-(1-methyl-5-phenylpyrazol-3-yl)benzonitrile?
The canonical SMILES for 4-(1-methyl-5-phenylpyrazol-3-yl)benzonitrile is Cn1nc(-c2ccc(C#N)cc2)cc1-c1ccccc1.
What is the InChIKey of 4-(1-methyl-5-phenylpyrazol-3-yl)benzonitrile?
The InChIKey is BWWGCCZEQRXLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-20-17(15-5-3-2-4-6-15)11-16(19-20)14-9-7-13(12-18)8-10-14/h2-11H,1H3.
What are the key properties of 4-(1-methyl-5-phenylpyrazol-3-yl)benzonitrile?
4-(1-methyl-5-phenylpyrazol-3-yl)benzonitrile has a molecular weight of 259.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-5-phenylpyrazol-3-yl)benzonitrile is sourced from PubChem (CID 143438272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).