5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile

C12H10FN3O — CID 116858619

IUPAC5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)nn2C)cc1F
InChIInChI=1S/C12H10FN3O/c1-16-11(6-9(7-14)15-16)8-3-4-12(17-2)10(13)5-8/h3-6H,1-2H3
InChIKeyWHDJWXOKCZRCAN-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.11
Rot. Bonds2

About 5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile

5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile (PubChem CID 116858619) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile
PubChem CID116858619
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)nn2C)cc1F
InChIInChI=1S/C12H10FN3O/c1-16-11(6-9(7-14)15-16)8-3-4-12(17-2)10(13)5-8/h3-6H,1-2H3
InChIKeyWHDJWXOKCZRCAN-UHFFFAOYSA-N
XLogP2.11
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxy-3-methylphenyl)-1-methylpyrazole-3-carbonitrile
CID 39247018
5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine
CID 116827395
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole
CID 116869104
5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-3-carbonitrile
CID 116858633
5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carbonitrile
CID 116858674
5-(3-fluoro-4-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556948
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
benzenesulfonamide;N-[3-cyano-5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide;N-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
CID 70291920
6-(3-fluoro-4-methoxyphenyl)-1,3,4-trimethylpyrazolo[5,4-b]pyridine
CID 169421254
7-fluoro-6-methoxyquinoline-2-carbonitrile
CID 102941351
5-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)imidazole
CID 11233655
4-(3,4-dimethoxyphenyl)-2-fluorobenzonitrile
CID 59689087

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile (CID 116858619) is 5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile is COc1ccc(-c2cc(C#N)nn2C)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile?
The InChIKey is WHDJWXOKCZRCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c1-16-11(6-9(7-14)15-16)8-3-4-12(17-2)10(13)5-8/h3-6H,1-2H3.
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile?
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile has a molecular weight of 231.23 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile is sourced from PubChem (CID 116858619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).