[4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

C25H25N5O — CID 16623056

IUPAC[4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cn2cccn2)cc1)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C25H25N5O/c31-25(22-9-7-20(8-10-22)18-30-13-3-12-27-30)29-16-14-28(15-17-29)19-23-5-1-4-21-6-2-11-26-24(21)23/h1-13H,14-19H2
InChIKeyFALCXNGADCQPPL-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.44
Rot. Bonds5

About [4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

[4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone (PubChem CID 16623056) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is [4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
PubChem CID16623056
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name[4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cn2cccn2)cc1)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C25H25N5O/c31-25(22-9-7-20(8-10-22)18-30-13-3-12-27-30)29-16-14-28(15-17-29)19-23-5-1-4-21-6-2-11-26-24(21)23/h1-13H,14-19H2
InChIKeyFALCXNGADCQPPL-UHFFFAOYSA-N
XLogP3.44
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623005
(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16609697
(4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 39855099
[4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 134036779
N-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55706599
(3,5-dimethoxy-4-methylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 55512963
[4-(2-hydroxypropyl)piperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 56802463
[5-(4-chlorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623002
4-[[4-(4-quinolin-8-ylbenzoyl)piperazin-1-yl]methyl]benzonitrile
CID 129042843
[4-[(2-ethylphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 148859589
(2-ethoxy-3-pyridinyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16622980
(4-methyl-3-nitrophenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16962419

Frequently Asked Questions

What is the IUPAC name of [4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone (CID 16623056) is [4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccc(Cn2cccn2)cc1)N1CCN(Cc2cccc3cccnc23)CC1.
What is the InChIKey of [4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is FALCXNGADCQPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c31-25(22-9-7-20(8-10-22)18-30-13-3-12-27-30)29-16-14-28(15-17-29)19-23-5-1-4-21-6-2-11-26-24(21)23/h1-13H,14-19H2.
What are the key properties of [4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
[4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 411.51 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 16623056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).