[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone

C20H21FN4O — CID 20915571

IUPAC[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)N1CCCCC1
InChIInChI=1S/C20H21FN4O/c1-15-18(20(26)24-13-3-2-4-14-24)19(23-11-5-6-12-23)25(22-15)17-9-7-16(21)8-10-17/h5-12H,2-4,13-14H2,1H3
InChIKeyXZBFGHWVBCZTJV-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.74
Rot. Bonds3

About [1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone

[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 20915571) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone
PubChem CID20915571
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)N1CCCCC1
InChIInChI=1S/C20H21FN4O/c1-15-18(20(26)24-13-3-2-4-14-24)19(23-11-5-6-12-23)25(22-15)17-9-7-16(21)8-10-17/h5-12H,2-4,13-14H2,1H3
InChIKeyXZBFGHWVBCZTJV-UHFFFAOYSA-N
XLogP3.74
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone (CID 20915571) is [1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone is Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)N1CCCCC1.
What is the InChIKey of [1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is XZBFGHWVBCZTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-15-18(20(26)24-13-3-2-4-14-24)19(23-11-5-6-12-23)25(22-15)17-9-7-16(21)8-10-17/h5-12H,2-4,13-14H2,1H3.
What are the key properties of [1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone?
[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 352.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 20915571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).