cyclohexyl-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

C18H30N4O — CID 19572348

IUPACcyclohexyl-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCCn1cc(CN2CCN(C(=O)C3CCCCC3)CC2)c(C)n1
InChIInChI=1S/C18H30N4O/c1-3-22-14-17(15(2)19-22)13-20-9-11-21(12-10-20)18(23)16-7-5-4-6-8-16/h14,16H,3-13H2,1-2H3
InChIKeyDAVFPGZRKDNFHL-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.44
Rot. Bonds4

About cyclohexyl-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

cyclohexyl-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 19572348) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is cyclohexyl-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID19572348
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Namecyclohexyl-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCCn1cc(CN2CCN(C(=O)C3CCCCC3)CC2)c(C)n1
InChIInChI=1S/C18H30N4O/c1-3-22-14-17(15(2)19-22)13-20-9-11-21(12-10-20)18(23)16-7-5-4-6-8-16/h14,16H,3-13H2,1-2H3
InChIKeyDAVFPGZRKDNFHL-UHFFFAOYSA-N
XLogP2.44
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone (CID 19572348) is cyclohexyl-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is CCn1cc(CN2CCN(C(=O)C3CCCCC3)CC2)c(C)n1.
What is the InChIKey of cyclohexyl-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is DAVFPGZRKDNFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-3-22-14-17(15(2)19-22)13-20-9-11-21(12-10-20)18(23)16-7-5-4-6-8-16/h14,16H,3-13H2,1-2H3.
What are the key properties of cyclohexyl-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
cyclohexyl-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 318.47 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19572348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).