3,3-difluoro-3-[3-(5-methyl-2-phenylpyrazol-3-yl)phenyl]propanenitrile

C19H15F2N3 — CID 144542925

IUPAC3,3-difluoro-3-[3-(5-methyl-2-phenylpyrazol-3-yl)phenyl]propanenitrile
SMILESCc1cc(-c2cccc(C(F)(F)CC#N)c2)n(-c2ccccc2)n1
InChIInChI=1S/C19H15F2N3/c1-14-12-18(24(23-14)17-8-3-2-4-9-17)15-6-5-7-16(13-15)19(20,21)10-11-22/h2-9,12-13H,10H2,1H3
InChIKeyYJOHOHFANFNCDR-UHFFFAOYSA-N
MW323.35 g/mol
LogP4.85
Rot. Bonds4

About 3,3-difluoro-3-[3-(5-methyl-2-phenylpyrazol-3-yl)phenyl]propanenitrile

3,3-difluoro-3-[3-(5-methyl-2-phenylpyrazol-3-yl)phenyl]propanenitrile (PubChem CID 144542925) has the molecular formula C19H15F2N3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3,3-difluoro-3-[3-(5-methyl-2-phenylpyrazol-3-yl)phenyl]propanenitrile.

Molecular Properties

Compound Name3,3-difluoro-3-[3-(5-methyl-2-phenylpyrazol-3-yl)phenyl]propanenitrile
PubChem CID144542925
Molecular FormulaC19H15F2N3
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name3,3-difluoro-3-[3-(5-methyl-2-phenylpyrazol-3-yl)phenyl]propanenitrile
SMILESCc1cc(-c2cccc(C(F)(F)CC#N)c2)n(-c2ccccc2)n1
InChIInChI=1S/C19H15F2N3/c1-14-12-18(24(23-14)17-8-3-2-4-9-17)15-6-5-7-16(13-15)19(20,21)10-11-22/h2-9,12-13H,10H2,1H3
InChIKeyYJOHOHFANFNCDR-UHFFFAOYSA-N
XLogP4.85
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3-difluoro-3-[3-(5-methyl-2-phenylpyrazol-3-yl)phenyl]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(1,1-difluoropropyl)phenyl]-3-methyl-1-phenylpyrazole
CID 130286022
1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 71287829
3-methyl-1-phenyl-5-(3-propan-2-ylphenyl)pyrazole
CID 139397684
5-(3-ethenylphenyl)-3-methyl-1-phenylpyrazole
CID 144542930
3-but-1-en-2-yl-1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazole
CID 130286644
4-(3-methyl-5-phenylpyrazol-1-yl)pyridine
CID 12069784
1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole
CID 4255927
3-(3,4-dimethylphenyl)-3,3-difluoropropanenitrile
CID 116840682
N,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862170
4-(3-methyl-5-phenylpyrazol-1-yl)benzoate
CID 7140279
3-methyl-1,5-bis(4-methylphenyl)pyrazole
CID 59881727
2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol
CID 135497208

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3-[3-(5-methyl-2-phenylpyrazol-3-yl)phenyl]propanenitrile?
The IUPAC name of 3,3-difluoro-3-[3-(5-methyl-2-phenylpyrazol-3-yl)phenyl]propanenitrile (CID 144542925) is 3,3-difluoro-3-[3-(5-methyl-2-phenylpyrazol-3-yl)phenyl]propanenitrile.
What is the SMILES notation for 3,3-difluoro-3-[3-(5-methyl-2-phenylpyrazol-3-yl)phenyl]propanenitrile?
The canonical SMILES for 3,3-difluoro-3-[3-(5-methyl-2-phenylpyrazol-3-yl)phenyl]propanenitrile is Cc1cc(-c2cccc(C(F)(F)CC#N)c2)n(-c2ccccc2)n1.
What is the InChIKey of 3,3-difluoro-3-[3-(5-methyl-2-phenylpyrazol-3-yl)phenyl]propanenitrile?
The InChIKey is YJOHOHFANFNCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3/c1-14-12-18(24(23-14)17-8-3-2-4-9-17)15-6-5-7-16(13-15)19(20,21)10-11-22/h2-9,12-13H,10H2,1H3.
What are the key properties of 3,3-difluoro-3-[3-(5-methyl-2-phenylpyrazol-3-yl)phenyl]propanenitrile?
3,3-difluoro-3-[3-(5-methyl-2-phenylpyrazol-3-yl)phenyl]propanenitrile has a molecular weight of 323.35 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-[3-(5-methyl-2-phenylpyrazol-3-yl)phenyl]propanenitrile is sourced from PubChem (CID 144542925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).