5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile

C17H13FN4O — CID 22309790

IUPAC5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
SMILESCOc1ccc(-n2nc(-c3ccccc3F)c(C#N)c2N)cc1
InChIInChI=1S/C17H13FN4O/c1-23-12-8-6-11(7-9-12)22-17(20)14(10-19)16(21-22)13-4-2-3-5-15(13)18/h2-9H,20H2,1H3
InChIKeyXOZGKLCUTNBSIX-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.14
Rot. Bonds3

About 5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile

5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile (PubChem CID 22309790) has the molecular formula C17H13FN4O and a molecular weight of 308.32 g/mol. Its IUPAC name is 5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
PubChem CID22309790
Molecular FormulaC17H13FN4O
Molecular Weight308.32 g/mol
Exact Mass308.11
IUPAC Name5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
SMILESCOc1ccc(-n2nc(-c3ccccc3F)c(C#N)c2N)cc1
InChIInChI=1S/C17H13FN4O/c1-23-12-8-6-11(7-9-12)22-17(20)14(10-19)16(21-22)13-4-2-3-5-15(13)18/h2-9H,20H2,1H3
InChIKeyXOZGKLCUTNBSIX-UHFFFAOYSA-N
XLogP3.14
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
CID 22309777
5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 22310084
5-amino-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 22310011
5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile
CID 132547191
5-amino-3-(2,4-difluorophenyl)-1-(2-methylphenyl)pyrazole-4-carbonitrile
CID 22310006
5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 2763873
5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
CID 22309810
5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile
CID 22309822
5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile
CID 63787921
2-amino-6-(2-fluorophenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5119568
2-(2-fluorophenyl)-4-methoxypyridine-3-carbonitrile
CID 72942917
5-amino-3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile
CID 100766310

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile (CID 22309790) is 5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile is COc1ccc(-n2nc(-c3ccccc3F)c(C#N)c2N)cc1.
What is the InChIKey of 5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile?
The InChIKey is XOZGKLCUTNBSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O/c1-23-12-8-6-11(7-9-12)22-17(20)14(10-19)16(21-22)13-4-2-3-5-15(13)18/h2-9H,20H2,1H3.
What are the key properties of 5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile?
5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile has a molecular weight of 308.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 22309790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).