[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

C24H23N5O2 — CID 55493046

IUPAC[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)nn1-c1ccccc1)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C24H23N5O2/c30-24(28-13-11-27(12-14-28)18-19-6-4-10-25-17-19)22-16-21(23-9-5-15-31-23)26-29(22)20-7-2-1-3-8-20/h1-10,15-17H,11-14,18H2
InChIKeyDRJOPTXSWJVLPQ-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.49
Rot. Bonds5

About [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 55493046) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID55493046
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)nn1-c1ccccc1)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C24H23N5O2/c30-24(28-13-11-27(12-14-28)18-19-6-4-10-25-17-19)22-16-21(23-9-5-15-31-23)26-29(22)20-7-2-1-3-8-20/h1-10,15-17H,11-14,18H2
InChIKeyDRJOPTXSWJVLPQ-UHFFFAOYSA-N
XLogP3.49
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 42159681
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55489912
1,4-diazepan-1-yl-[3-(furan-2-yl)-1-phenylpyrazol-5-yl]methanone;hydrochloride
CID 119414159
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18266915
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559789
[1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone
CID 24682960
6-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175414
(4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone
CID 46120011
2-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55489403
(4-ethylpiperazin-1-yl)-[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]methanone
CID 1053696
(3-fluoro-4-methylphenyl)-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 55878777
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(furan-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]methanone
CID 1053929

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (CID 55493046) is [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is O=C(c1cc(-c2ccco2)nn1-c1ccccc1)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is DRJOPTXSWJVLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c30-24(28-13-11-27(12-14-28)18-19-6-4-10-25-17-19)22-16-21(23-9-5-15-31-23)26-29(22)20-7-2-1-3-8-20/h1-10,15-17H,11-14,18H2.
What are the key properties of [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 413.48 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55493046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).