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

C20H22FN5O2 — CID 78851958

IUPAC[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cnn(-c2ccccc2F)c1-n1cccc1)N1CCN(CCO)CC1
InChIInChI=1S/C20H22FN5O2/c21-17-5-1-2-6-18(17)26-19(24-7-3-4-8-24)16(15-22-26)20(28)25-11-9-23(10-12-25)13-14-27/h1-8,15,27H,9-14H2
InChIKeyNNPHIXLDPMKZGA-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.55
Rot. Bonds5

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

[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 78851958) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID78851958
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cnn(-c2ccccc2F)c1-n1cccc1)N1CCN(CCO)CC1
InChIInChI=1S/C20H22FN5O2/c21-17-5-1-2-6-18(17)26-19(24-7-3-4-8-24)16(15-22-26)20(28)25-11-9-23(10-12-25)13-14-27/h1-8,15,27H,9-14H2
InChIKeyNNPHIXLDPMKZGA-UHFFFAOYSA-N
XLogP1.55
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 78851958) is [1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(c1cnn(-c2ccccc2F)c1-n1cccc1)N1CCN(CCO)CC1.
What is the InChIKey of [1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is NNPHIXLDPMKZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c21-17-5-1-2-6-18(17)26-19(24-7-3-4-8-24)16(15-22-26)20(28)25-11-9-23(10-12-25)13-14-27/h1-8,15,27H,9-14H2.
What are the key properties of [1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 383.43 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 78851958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).