cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C20H26N4O — CID 110218063

IUPACcyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCCC1c1[nH]ncc1-c1ccncc1
InChIInChI=1S/C20H26N4O/c25-20(16-6-2-1-3-7-16)24-13-5-4-8-18(24)19-17(14-22-23-19)15-9-11-21-12-10-15/h9-12,14,16,18H,1-8,13H2,(H,22,23)
InChIKeyGPJVVCJMEZMOLM-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.11
Rot. Bonds3

About cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 110218063) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID110218063
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Namecyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCCC1c1[nH]ncc1-c1ccncc1
InChIInChI=1S/C20H26N4O/c25-20(16-6-2-1-3-7-16)24-13-5-4-8-18(24)19-17(14-22-23-19)15-9-11-21-12-10-15/h9-12,14,16,18H,1-8,13H2,(H,22,23)
InChIKeyGPJVVCJMEZMOLM-UHFFFAOYSA-N
XLogP4.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 110218063) is cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCCCC1c1[nH]ncc1-c1ccncc1.
What is the InChIKey of cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is GPJVVCJMEZMOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-20(16-6-2-1-3-7-16)24-13-5-4-8-18(24)19-17(14-22-23-19)15-9-11-21-12-10-15/h9-12,14,16,18H,1-8,13H2,(H,22,23).
What are the key properties of cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110218063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).