3-cyclohexyl-1-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]propan-1-one

C20H32N4O2 — CID 51121756

IUPAC3-cyclohexyl-1-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]propan-1-one
SMILESCc1nn(C)c(C)c1C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C20H32N4O2/c1-15-19(16(2)22(3)21-15)20(26)24-13-11-23(12-14-24)18(25)10-9-17-7-5-4-6-8-17/h17H,4-14H2,1-3H3
InChIKeyMTZWGKYRDMCRMD-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.68
Rot. Bonds4

About 3-cyclohexyl-1-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]propan-1-one

3-cyclohexyl-1-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 51121756) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID51121756
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name3-cyclohexyl-1-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]propan-1-one
SMILESCc1nn(C)c(C)c1C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C20H32N4O2/c1-15-19(16(2)22(3)21-15)20(26)24-13-11-23(12-14-24)18(25)10-9-17-7-5-4-6-8-17/h17H,4-14H2,1-3H3
InChIKeyMTZWGKYRDMCRMD-UHFFFAOYSA-N
XLogP2.68
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-cyclohexyl-1-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24793140
1-cycloheptyl-N-isopropyl-6-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinecarboxamide
CID 24793825
(5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1H-pyrazol-4-yl)(3-methylpiperidin-1-yl)methanone
CID 45502097
3-Cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 47064401
2-Cyclohexyl-1-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanone
CID 72025347
(1-(Difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl)(4-tricyclo(3.3.1.13,7)dec-2-yl-1-piperazinyl)methanone
CID 998531
(5-ethyl-3-isobutyl-1-methyl-1H-pyrazol-4-yl)(morpholino)methanone
CID 42669902
4-(cyclopropylmethyl)-1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)carbonyl]-3-isopropyl-1,4-diazepan-5-one
CID 56862259
1-[(3S)-3-methylpiperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethane-1,2-dione
CID 40077107
(4-Propylpiperazin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 40140215
N,N,5-trimethyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502071
[5-Methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 45502074

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]propan-1-one (CID 51121756) is 3-cyclohexyl-1-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]propan-1-one is Cc1nn(C)c(C)c1C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1.
What is the InChIKey of 3-cyclohexyl-1-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is MTZWGKYRDMCRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-15-19(16(2)22(3)21-15)20(26)24-13-11-23(12-14-24)18(25)10-9-17-7-5-4-6-8-17/h17H,4-14H2,1-3H3.
What are the key properties of 3-cyclohexyl-1-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]propan-1-one?
3-cyclohexyl-1-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 360.50 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 51121756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).