[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

C23H24N6O2 — CID 90506581

IUPAC[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C23H24N6O2/c1-16-22(17(2)29(26-16)18-7-4-3-5-8-18)27-10-12-28(13-11-27)23(30)20-15-19(24-25-20)21-9-6-14-31-21/h3-9,14-15H,10-13H2,1-2H3,(H,24,25)
InChIKeyOQTVGXHBFBTKFW-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.43
Rot. Bonds4

About [4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 90506581) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is [4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID90506581
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C23H24N6O2/c1-16-22(17(2)29(26-16)18-7-4-3-5-8-18)27-10-12-28(13-11-27)23(30)20-15-19(24-25-20)21-9-6-14-31-21/h3-9,14-15H,10-13H2,1-2H3,(H,24,25)
InChIKeyOQTVGXHBFBTKFW-UHFFFAOYSA-N
XLogP3.43
TPSA83.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513852
[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 35554692
(2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone
CID 20910914
[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 51896800
[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 51896797
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 35555894
1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118877
(5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone
CID 56764533
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
CID 91818598
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 90506631
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 90507503
1,4-diazepan-1-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119417177

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (CID 90506581) is [4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1.
What is the InChIKey of [4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is OQTVGXHBFBTKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-16-22(17(2)29(26-16)18-7-4-3-5-8-18)27-10-12-28(13-11-27)23(30)20-15-19(24-25-20)21-9-6-14-31-21/h3-9,14-15H,10-13H2,1-2H3,(H,24,25).
What are the key properties of [4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 416.49 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 90506581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).