3-fluoro-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carbonitrile

C19H15FN4OS — CID 146076048

IUPAC3-fluoro-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carbonitrile
SMILESN#CC1(F)CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C1
InChIInChI=1S/C19H15FN4OS/c20-19(12-21)8-9-23(13-19)18(25)15-11-16(17-7-4-10-26-17)24(22-15)14-5-2-1-3-6-14/h1-7,10-11H,8-9,13H2
InChIKeyXQKGJXVUKGVHQX-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.68
Rot. Bonds3

About 3-fluoro-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carbonitrile

3-fluoro-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carbonitrile (PubChem CID 146076048) has the molecular formula C19H15FN4OS and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-fluoro-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name3-fluoro-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carbonitrile
PubChem CID146076048
Molecular FormulaC19H15FN4OS
Molecular Weight366.42 g/mol
Exact Mass366.10
IUPAC Name3-fluoro-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carbonitrile
SMILESN#CC1(F)CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C1
InChIInChI=1S/C19H15FN4OS/c20-19(12-21)8-9-23(13-19)18(25)15-11-16(17-7-4-10-26-17)24(22-15)14-5-2-1-3-6-14/h1-7,10-11H,8-9,13H2
InChIKeyXQKGJXVUKGVHQX-UHFFFAOYSA-N
XLogP3.68
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610532
[4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 119519370
1-(2-hydroxyphenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid
CID 82362023
1-(2-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid
CID 43542791
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 56882248
(5-methyl-1-phenylpyrazol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 55790775
2-azaspiro[3.3]heptan-2-yl-(1,5-diphenylpyrazol-3-yl)methanone
CID 155952705
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 103726970
(1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 118215004
[(3R,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 133131679
ethyl 1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
CID 169498735
methyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
CID 43513891

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carbonitrile?
The IUPAC name of 3-fluoro-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carbonitrile (CID 146076048) is 3-fluoro-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carbonitrile.
What is the SMILES notation for 3-fluoro-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carbonitrile?
The canonical SMILES for 3-fluoro-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carbonitrile is N#CC1(F)CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C1.
What is the InChIKey of 3-fluoro-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carbonitrile?
The InChIKey is XQKGJXVUKGVHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4OS/c20-19(12-21)8-9-23(13-19)18(25)15-11-16(17-7-4-10-26-17)24(22-15)14-5-2-1-3-6-14/h1-7,10-11H,8-9,13H2.
What are the key properties of 3-fluoro-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carbonitrile?
3-fluoro-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carbonitrile has a molecular weight of 366.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 146076048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).