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

C19H19FN4O2 — CID 20915567

IUPAC[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)N1CCOCC1
InChIInChI=1S/C19H19FN4O2/c1-14-17(19(25)23-10-12-26-13-11-23)18(22-8-2-3-9-22)24(21-14)16-6-4-15(20)5-7-16/h2-9H,10-13H2,1H3
InChIKeyXDHHBPHCWSIRTJ-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.58
Rot. Bonds3

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

[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 20915567) has the molecular formula C19H19FN4O2 and a molecular weight of 354.38 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone
PubChem CID20915567
Molecular FormulaC19H19FN4O2
Molecular Weight354.38 g/mol
Exact Mass354.15
IUPAC Name[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)N1CCOCC1
InChIInChI=1S/C19H19FN4O2/c1-14-17(19(25)23-10-12-26-13-11-23)18(22-8-2-3-9-22)24(21-14)16-6-4-15(20)5-7-16/h2-9H,10-13H2,1H3
InChIKeyXDHHBPHCWSIRTJ-UHFFFAOYSA-N
XLogP2.58
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone (CID 20915567) is [1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone is Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)N1CCOCC1.
What is the InChIKey of [1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is XDHHBPHCWSIRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-14-17(19(25)23-10-12-26-13-11-23)18(22-8-2-3-9-22)24(21-14)16-6-4-15(20)5-7-16/h2-9H,10-13H2,1H3.
What are the key properties of [1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone?
[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 354.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 20915567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).