[(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone

C17H24N4O — CID 97094088

IUPAC[(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone
SMILESCC1=NN(c2ccc(C(=O)N3CCN(C)C[C@H]3C)cc2)CC1
InChIInChI=1S/C17H24N4O/c1-13-8-9-21(18-13)16-6-4-15(5-7-16)17(22)20-11-10-19(3)12-14(20)2/h4-7,14H,8-12H2,1-3H3/t14-/m1/s1
InChIKeyZNSUOLBUMALYMK-CQSZACIVSA-N
MW300.41 g/mol
LogP2.05
Rot. Bonds2

About [(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone

[(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone (PubChem CID 97094088) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is [(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone
PubChem CID97094088
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name[(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone
SMILESCC1=NN(c2ccc(C(=O)N3CCN(C)C[C@H]3C)cc2)CC1
InChIInChI=1S/C17H24N4O/c1-13-8-9-21(18-13)16-6-4-15(5-7-16)17(22)20-11-10-19(3)12-14(20)2/h4-7,14H,8-12H2,1-3H3/t14-/m1/s1
InChIKeyZNSUOLBUMALYMK-CQSZACIVSA-N
XLogP2.05
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95290642
[(2S)-2,4-dimethylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 97094095
(3,4-dihydroxyphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103957022
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone
CID 99608820
(2S,4S)-4-methoxy-1-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]pyrrolidine-2-carboxamide
CID 128983730
(2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 113233774
[(2S)-2,4-dimethylpiperazin-1-yl]-[4-(1,2-oxazol-5-yl)phenyl]methanone
CID 175719598
2-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]thiomorpholin-3-yl]acetic acid
CID 119211050
(3S)-1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]phenyl]piperidine-3-carboxamide
CID 97094091
(2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 71877168
[(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 97094124
[1-(4-chlorophenyl)pyrazol-4-yl]-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877338

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone (CID 97094088) is [(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone is CC1=NN(c2ccc(C(=O)N3CCN(C)C[C@H]3C)cc2)CC1.
What is the InChIKey of [(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone?
The InChIKey is ZNSUOLBUMALYMK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-8-9-21(18-13)16-6-4-15(5-7-16)17(22)20-11-10-19(3)12-14(20)2/h4-7,14H,8-12H2,1-3H3/t14-/m1/s1.
What are the key properties of [(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone?
[(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone has a molecular weight of 300.41 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone is sourced from PubChem (CID 97094088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).