4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile

C18H15N3 — CID 102168714

IUPAC4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile
SMILESCc1nn(-c2ccccc2)c(C)c1-c1ccc(C#N)cc1
InChIInChI=1S/C18H15N3/c1-13-18(16-10-8-15(12-19)9-11-16)14(2)21(20-13)17-6-4-3-5-7-17/h3-11H,1-2H3
InChIKeyHNXBFSRUISEFSF-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.03
Rot. Bonds2

About 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile

4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile (PubChem CID 102168714) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile.

Molecular Properties

Compound Name4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile
PubChem CID102168714
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile
SMILESCc1nn(-c2ccccc2)c(C)c1-c1ccc(C#N)cc1
InChIInChI=1S/C18H15N3/c1-13-18(16-10-8-15(12-19)9-11-16)14(2)21(20-13)17-6-4-3-5-7-17/h3-11H,1-2H3
InChIKeyHNXBFSRUISEFSF-UHFFFAOYSA-N
XLogP4.03
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine
CID 61033660
2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole
CID 2740693
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
methyl 3-(4-cyanophenyl)-5-methyl-1-phenylpyrazole-4-carboxylate
CID 135064086
4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole
CID 140715479
4-(1-phenylindazol-3-yl)benzonitrile
CID 57379769
N-[(4-cyanophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106481
4-[3,5-dimethyl-4-[(4-methylphenyl)diazenyl]pyrazol-1-yl]benzonitrile
CID 139069713
1-(3-cyanophenyl)sulfonyl-3-[2-[4-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]ethyl]urea
CID 22244590
(E)-3-(4-cyanophenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylprop-2-enamide
CID 9118596
4-[1-[[4-(1-hydroxyethenyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]benzonitrile
CID 143769944
5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326239

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile?
The IUPAC name of 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile (CID 102168714) is 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile.
What is the SMILES notation for 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile?
The canonical SMILES for 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile is Cc1nn(-c2ccccc2)c(C)c1-c1ccc(C#N)cc1.
What is the InChIKey of 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile?
The InChIKey is HNXBFSRUISEFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-13-18(16-10-8-15(12-19)9-11-16)14(2)21(20-13)17-6-4-3-5-7-17/h3-11H,1-2H3.
What are the key properties of 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile?
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile has a molecular weight of 273.34 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile is sourced from PubChem (CID 102168714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).