cyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone

C21H28N4O — CID 90506616

IUPACcyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone
SMILESCc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C21H28N4O/c1-16-20(17(2)25(22-16)19-10-4-3-5-11-19)23-12-14-24(15-13-23)21(26)18-8-6-7-9-18/h3-5,10-11,18H,6-9,12-15H2,1-2H3
InChIKeyNKMWINULAGUDFU-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.33
Rot. Bonds3

About cyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone

cyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone (PubChem CID 90506616) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is cyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone
PubChem CID90506616
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Namecyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone
SMILESCc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C21H28N4O/c1-16-20(17(2)25(22-16)19-10-4-3-5-11-19)23-12-14-24(15-13-23)21(26)18-8-6-7-9-18/h3-5,10-11,18H,6-9,12-15H2,1-2H3
InChIKeyNKMWINULAGUDFU-UHFFFAOYSA-N
XLogP3.33
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone
CID 90506717
1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]butan-1-one
CID 90506606
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone
CID 90506732
1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90506600
4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 90506720
1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-2-ethylbutan-1-one
CID 90506613
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 90507503
1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]pentan-1-one
CID 90506609
(5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone
CID 56764533
N-(4-tert-butylphenyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carboxamide
CID 90507044
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 90506631
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 90507036

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone (CID 90506616) is cyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone is Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of cyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone?
The InChIKey is NKMWINULAGUDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-16-20(17(2)25(22-16)19-10-4-3-5-11-19)23-12-14-24(15-13-23)21(26)18-8-6-7-9-18/h3-5,10-11,18H,6-9,12-15H2,1-2H3.
What are the key properties of cyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone?
cyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone has a molecular weight of 352.48 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 90506616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).