4-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol

C16H28N4O2 — CID 51104687

IUPAC4-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCc1nn(C)c(N2CCOCC2)c1CNC1CCC(O)CC1
InChIInChI=1S/C16H28N4O2/c1-12-15(11-17-13-3-5-14(21)6-4-13)16(19(2)18-12)20-7-9-22-10-8-20/h13-14,17,21H,3-11H2,1-2H3
InChIKeyLZLOPTCNUOJWPB-UHFFFAOYSA-N
MW308.43 g/mol
LogP0.96
Rot. Bonds4

About 4-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol

4-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol (PubChem CID 51104687) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol
PubChem CID51104687
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name4-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCc1nn(C)c(N2CCOCC2)c1CNC1CCC(O)CC1
InChIInChI=1S/C16H28N4O2/c1-12-15(11-17-13-3-5-14(21)6-4-13)16(19(2)18-12)20-7-9-22-10-8-20/h13-14,17,21H,3-11H2,1-2H3
InChIKeyLZLOPTCNUOJWPB-UHFFFAOYSA-N
XLogP0.96
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol (CID 51104687) is 4-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol is Cc1nn(C)c(N2CCOCC2)c1CNC1CCC(O)CC1.
What is the InChIKey of 4-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The InChIKey is LZLOPTCNUOJWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-12-15(11-17-13-3-5-14(21)6-4-13)16(19(2)18-12)20-7-9-22-10-8-20/h13-14,17,21H,3-11H2,1-2H3.
What are the key properties of 4-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
4-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol has a molecular weight of 308.43 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 51104687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).