(2-fluorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone

C20H18FN5O2 — CID 50799893

IUPAC(2-fluorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccn2)n[nH]1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H18FN5O2/c21-15-6-2-1-5-14(15)19(27)25-9-11-26(12-10-25)20(28)18-13-17(23-24-18)16-7-3-4-8-22-16/h1-8,13H,9-12H2,(H,23,24)
InChIKeyTXBJSEBXKYNSJN-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.21
Rot. Bonds3

About (2-fluorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone

(2-fluorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone (PubChem CID 50799893) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
PubChem CID50799893
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name(2-fluorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccn2)n[nH]1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H18FN5O2/c21-15-6-2-1-5-14(15)19(27)25-9-11-26(12-10-25)20(28)18-13-17(23-24-18)16-7-3-4-8-22-16/h1-8,13H,9-12H2,(H,23,24)
InChIKeyTXBJSEBXKYNSJN-UHFFFAOYSA-N
XLogP2.21
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-fluorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(3-chlorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 50799985
(3-bromophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 50799842
[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 20910921
2-(4-chlorophenyl)-1-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]ethanone
CID 50799767
[4-(6-ethyl-5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 138383415
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 70848684
pyridin-2-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087752
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 71802804
2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397164
(2-bromophenyl)-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 20910987

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone (CID 50799893) is (2-fluorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone is O=C(c1cc(-c2ccccn2)n[nH]1)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone?
The InChIKey is TXBJSEBXKYNSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c21-15-6-2-1-5-14(15)19(27)25-9-11-26(12-10-25)20(28)18-13-17(23-24-18)16-7-3-4-8-22-16/h1-8,13H,9-12H2,(H,23,24).
What are the key properties of (2-fluorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone has a molecular weight of 379.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 50799893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).