[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone

C24H21F2N5O3S — CID 36928051

IUPAC[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C24H21F2N5O3S/c25-18-7-9-19(10-8-18)31-23(28-11-3-4-12-28)20(17-27-31)24(32)29-13-15-30(16-14-29)35(33,34)22-6-2-1-5-21(22)26/h1-12,17H,13-16H2
InChIKeyFAOONAAJEBUXCG-UHFFFAOYSA-N
MW497.53 g/mol
LogP3.09
Rot. Bonds5

About [1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone

[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 36928051) has the molecular formula C24H21F2N5O3S and a molecular weight of 497.53 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID36928051
Molecular FormulaC24H21F2N5O3S
Molecular Weight497.53 g/mol
Exact Mass497.13
IUPAC Name[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C24H21F2N5O3S/c25-18-7-9-19(10-8-18)31-23(28-11-3-4-12-28)20(17-27-31)24(32)29-13-15-30(16-14-29)35(33,34)22-6-2-1-5-21(22)26/h1-12,17H,13-16H2
InChIKeyFAOONAAJEBUXCG-UHFFFAOYSA-N
XLogP3.09
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 36928051) is [1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of [1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is FAOONAAJEBUXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O3S/c25-18-7-9-19(10-8-18)31-23(28-11-3-4-12-28)20(17-27-31)24(32)29-13-15-30(16-14-29)35(33,34)22-6-2-1-5-21(22)26/h1-12,17H,13-16H2.
What are the key properties of [1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 497.53 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 36928051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).