4-[[1-cyclohexyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]morpholine

C20H28N4O — CID 155549793

IUPAC4-[[1-cyclohexyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]morpholine
SMILESCc1ccc(-c2cc(CN3CCOCC3)nn2C2CCCCC2)cn1
InChIInChI=1S/C20H28N4O/c1-16-7-8-17(14-21-16)20-13-18(15-23-9-11-25-12-10-23)22-24(20)19-5-3-2-4-6-19/h7-8,13-14,19H,2-6,9-12,15H2,1H3
InChIKeyRXKFNELEIHVVHJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.59
Rot. Bonds4

About 4-[[1-cyclohexyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]morpholine

4-[[1-cyclohexyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]morpholine (PubChem CID 155549793) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[[1-cyclohexyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-cyclohexyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]morpholine
PubChem CID155549793
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-[[1-cyclohexyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]morpholine
SMILESCc1ccc(-c2cc(CN3CCOCC3)nn2C2CCCCC2)cn1
InChIInChI=1S/C20H28N4O/c1-16-7-8-17(14-21-16)20-13-18(15-23-9-11-25-12-10-23)22-24(20)19-5-3-2-4-6-19/h7-8,13-14,19H,2-6,9-12,15H2,1H3
InChIKeyRXKFNELEIHVVHJ-UHFFFAOYSA-N
XLogP3.59
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-cyclohexyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-cyclohexyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]morpholine (CID 155549793) is 4-[[1-cyclohexyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-cyclohexyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-cyclohexyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]morpholine is Cc1ccc(-c2cc(CN3CCOCC3)nn2C2CCCCC2)cn1.
What is the InChIKey of 4-[[1-cyclohexyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]morpholine?
The InChIKey is RXKFNELEIHVVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16-7-8-17(14-21-16)20-13-18(15-23-9-11-25-12-10-23)22-24(20)19-5-3-2-4-6-19/h7-8,13-14,19H,2-6,9-12,15H2,1H3.
What are the key properties of 4-[[1-cyclohexyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]morpholine?
4-[[1-cyclohexyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]morpholine has a molecular weight of 340.47 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-cyclohexyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]morpholine is sourced from PubChem (CID 155549793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).