4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol

C15H27N3O2 — CID 51104686

IUPAC4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCOc1c(CNC2CCC(O)CC2)c(C(C)C)nn1C
InChIInChI=1S/C15H27N3O2/c1-10(2)14-13(15(20-4)18(3)17-14)9-16-11-5-7-12(19)8-6-11/h10-12,16,19H,5-9H2,1-4H3
InChIKeyZZBFEDZYEXOOMZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.95
Rot. Bonds5

About 4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol

4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol (PubChem CID 51104686) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol
PubChem CID51104686
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCOc1c(CNC2CCC(O)CC2)c(C(C)C)nn1C
InChIInChI=1S/C15H27N3O2/c1-10(2)14-13(15(20-4)18(3)17-14)9-16-11-5-7-12(19)8-6-11/h10-12,16,19H,5-9H2,1-4H3
InChIKeyZZBFEDZYEXOOMZ-UHFFFAOYSA-N
XLogP1.95
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol (CID 51104686) is 4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol is COc1c(CNC2CCC(O)CC2)c(C(C)C)nn1C.
What is the InChIKey of 4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The InChIKey is ZZBFEDZYEXOOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10(2)14-13(15(20-4)18(3)17-14)9-16-11-5-7-12(19)8-6-11/h10-12,16,19H,5-9H2,1-4H3.
What are the key properties of 4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 51104686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).