[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C19H18FN5O — CID 71802804

IUPAC[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2cccc(F)c2)n[nH]1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H18FN5O/c20-15-5-3-4-14(12-15)16-13-17(23-22-16)19(26)25-10-8-24(9-11-25)18-6-1-2-7-21-18/h1-7,12-13H,8-11H2,(H,22,23)
InChIKeyADHFXNGXEVFKDS-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.57
Rot. Bonds3

About [3-(3-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 71802804) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID71802804
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2cccc(F)c2)n[nH]1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H18FN5O/c20-15-5-3-4-14(12-15)16-13-17(23-22-16)19(26)25-10-8-24(9-11-25)18-6-1-2-7-21-18/h1-7,12-13H,8-11H2,(H,22,23)
InChIKeyADHFXNGXEVFKDS-UHFFFAOYSA-N
XLogP2.57
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 20953309
(3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024085
(4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 71700603
[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516795
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20906512
(3-fluorophenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 46969433
pyridin-2-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087752
(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058315
[5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51193185
(4-benzhydrylpiperazin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 20953289
(2-fluorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 50799893
(3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 71702362

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(3-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 71802804) is [3-(3-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(3-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(3-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cc(-c2cccc(F)c2)n[nH]1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [3-(3-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ADHFXNGXEVFKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-15-5-3-4-14(12-15)16-13-17(23-22-16)19(26)25-10-8-24(9-11-25)18-6-1-2-7-21-18/h1-7,12-13H,8-11H2,(H,22,23).
What are the key properties of [3-(3-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 351.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 71802804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).