(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone

C15H18N4O — CID 60712084

IUPAC(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
SMILESCN1CCN(C(=O)c2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C15H18N4O/c1-18-7-9-19(10-8-18)15(20)13-11-16-17-14(13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17)
InChIKeyGZLZJQBFSNWMKX-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.46
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone

(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone (PubChem CID 60712084) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
PubChem CID60712084
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
SMILESCN1CCN(C(=O)c2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C15H18N4O/c1-18-7-9-19(10-8-18)15(20)13-11-16-17-14(13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17)
InChIKeyGZLZJQBFSNWMKX-UHFFFAOYSA-N
XLogP1.46
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 72903607
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 71824945
(2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone
CID 55869721
1-[4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 17408119
(4-methyl-2-phenylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 72920798
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 55465377
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 79030002
[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 74245032
2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone
CID 55932242
(5-phenyl-1H-pyrazol-4-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone
CID 154747999
(4-benzhydrylpiperazin-1-yl)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 71824930
5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid
CID 28948764

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone (CID 60712084) is (4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone is CN1CCN(C(=O)c2cn[nH]c2-c2ccccc2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone?
The InChIKey is GZLZJQBFSNWMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-18-7-9-19(10-8-18)15(20)13-11-16-17-14(13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17).
What are the key properties of (4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone?
(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone has a molecular weight of 270.34 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 60712084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).