cyclohexyl-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

C17H28N4O — CID 19333841

IUPACcyclohexyl-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nn(C)cc1CN1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H28N4O/c1-14-16(12-19(2)18-14)13-20-8-10-21(11-9-20)17(22)15-6-4-3-5-7-15/h12,15H,3-11,13H2,1-2H3
InChIKeyHVDHUBDVHCIYDO-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.95
Rot. Bonds3

About cyclohexyl-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

cyclohexyl-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 19333841) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is cyclohexyl-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID19333841
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Namecyclohexyl-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nn(C)cc1CN1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H28N4O/c1-14-16(12-19(2)18-14)13-20-8-10-21(11-9-20)17(22)15-6-4-3-5-7-15/h12,15H,3-11,13H2,1-2H3
InChIKeyHVDHUBDVHCIYDO-UHFFFAOYSA-N
XLogP1.95
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylmethyl)-N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24790909
2-(1-adamantyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4335808
1-(cyclohexylmethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817829
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclohexanecarboxamide
CID 19469143
2-cyclopentyl-8-[2-(5-methyl-1H-pyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70731577
Cyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone
CID 84587817
N-[(1,3-Dimethyl-1H-pyrazol-4-YL)methyl]-N-methyl-1-(6-oxo-1-propyl-1,6-dihydro-4-pyridazinyl)-4-piperidinecarboxamide
CID 53202222
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203994
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide
CID 110195750
(1S,11R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199417
4-(cyclohexylmethyl)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-5-one
CID 42544404
(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97189004

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone (CID 19333841) is cyclohexyl-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is Cc1nn(C)cc1CN1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is HVDHUBDVHCIYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14-16(12-19(2)18-14)13-20-8-10-21(11-9-20)17(22)15-6-4-3-5-7-15/h12,15H,3-11,13H2,1-2H3.
What are the key properties of cyclohexyl-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
cyclohexyl-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 304.44 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19333841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).