[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone

C17H22N4O2 — CID 70709938

IUPAC[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccn[nH]2)CC1(C)C
InChIInChI=1S/C17H22N4O2/c1-17(2)12-20(16(22)13-8-9-18-19-13)10-11-21(17)14-6-4-5-7-15(14)23-3/h4-9H,10-12H2,1-3H3,(H,18,19)
InChIKeyXVDHAMWMXBIOSZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.16
Rot. Bonds3

About [4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone

[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 70709938) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID70709938
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccn[nH]2)CC1(C)C
InChIInChI=1S/C17H22N4O2/c1-17(2)12-20(16(22)13-8-9-18-19-13)10-11-21(17)14-6-4-5-7-15(14)23-3/h4-9H,10-12H2,1-3H3,(H,18,19)
InChIKeyXVDHAMWMXBIOSZ-UHFFFAOYSA-N
XLogP2.16
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70788614
[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70764465
6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 70743886
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 103727095
(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(1H-pyrazol-5-yl)methanone
CID 56819364
1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 70720201
[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95174843
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 120808347
(4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 120818433
3-ethyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 55165492
1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol
CID 72884550
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 20906534

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 70709938) is [4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone is COc1ccccc1N1CCN(C(=O)c2ccn[nH]2)CC1(C)C.
What is the InChIKey of [4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is XVDHAMWMXBIOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-17(2)12-20(16(22)13-8-9-18-19-13)10-11-21(17)14-6-4-5-7-15(14)23-3/h4-9H,10-12H2,1-3H3,(H,18,19).
What are the key properties of [4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone?
[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 70709938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).