4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]-1-phenylpiperazin-2-one

C20H22N6O2 — CID 56744775

IUPAC4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]-1-phenylpiperazin-2-one
SMILESCc1cc(C)n(Cc2cc(C(=O)N3CCN(c4ccccc4)C(=O)C3)n[nH]2)n1
InChIInChI=1S/C20H22N6O2/c1-14-10-15(2)26(23-14)12-16-11-18(22-21-16)20(28)24-8-9-25(19(27)13-24)17-6-4-3-5-7-17/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,21,22)
InChIKeyGOZUFKCWIKISFW-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.76
Rot. Bonds4

About 4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]-1-phenylpiperazin-2-one

4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]-1-phenylpiperazin-2-one (PubChem CID 56744775) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]-1-phenylpiperazin-2-one
PubChem CID56744775
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]-1-phenylpiperazin-2-one
SMILESCc1cc(C)n(Cc2cc(C(=O)N3CCN(c4ccccc4)C(=O)C3)n[nH]2)n1
InChIInChI=1S/C20H22N6O2/c1-14-10-15(2)26(23-14)12-16-11-18(22-21-16)20(28)24-8-9-25(19(27)13-24)17-6-4-3-5-7-17/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,21,22)
InChIKeyGOZUFKCWIKISFW-UHFFFAOYSA-N
XLogP1.76
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]-1-phenylpiperazin-2-one with MolForge

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Related Compounds

[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(3R)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 95202402
[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 56757941
ethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate
CID 45213629
ethyl (3R)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate
CID 42529647
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide
CID 42510788
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 42515322
[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 42098177
4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one
CID 70755852
[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 95219998
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20918269
4-[1-[(3-chlorophenyl)methyl]triazole-4-carbonyl]-1-phenylpiperazin-2-one
CID 25453569
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42519717

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]-1-phenylpiperazin-2-one?
The IUPAC name of 4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]-1-phenylpiperazin-2-one (CID 56744775) is 4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]-1-phenylpiperazin-2-one?
The canonical SMILES for 4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]-1-phenylpiperazin-2-one is Cc1cc(C)n(Cc2cc(C(=O)N3CCN(c4ccccc4)C(=O)C3)n[nH]2)n1.
What is the InChIKey of 4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]-1-phenylpiperazin-2-one?
The InChIKey is GOZUFKCWIKISFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-14-10-15(2)26(23-14)12-16-11-18(22-21-16)20(28)24-8-9-25(19(27)13-24)17-6-4-3-5-7-17/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,21,22).
What are the key properties of 4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]-1-phenylpiperazin-2-one?
4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]-1-phenylpiperazin-2-one has a molecular weight of 378.44 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]-1-phenylpiperazin-2-one is sourced from PubChem (CID 56744775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).