5-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol

C15H28ClN3O — CID 111467957

IUPAC5-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol
SMILESCC(O)CC(C)(C)CNCc1c(C(C)C)nn(C)c1Cl
InChIInChI=1S/C15H28ClN3O/c1-10(2)13-12(14(16)19(6)18-13)8-17-9-15(4,5)7-11(3)20/h10-11,17,20H,7-9H2,1-6H3
InChIKeyUYIWMZMYOYGPCD-UHFFFAOYSA-N
MW301.86 g/mol
LogP3.08
Rot. Bonds7

About 5-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol

5-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol (PubChem CID 111467957) has the molecular formula C15H28ClN3O and a molecular weight of 301.86 g/mol. Its IUPAC name is 5-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name5-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol
PubChem CID111467957
Molecular FormulaC15H28ClN3O
Molecular Weight301.86 g/mol
Exact Mass301.19
IUPAC Name5-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol
SMILESCC(O)CC(C)(C)CNCc1c(C(C)C)nn(C)c1Cl
InChIInChI=1S/C15H28ClN3O/c1-10(2)13-12(14(16)19(6)18-13)8-17-9-15(4,5)7-11(3)20/h10-11,17,20H,7-9H2,1-6H3
InChIKeyUYIWMZMYOYGPCD-UHFFFAOYSA-N
XLogP3.08
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.86
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 5-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol (CID 111467957) is 5-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 5-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 5-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol is CC(O)CC(C)(C)CNCc1c(C(C)C)nn(C)c1Cl.
What is the InChIKey of 5-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol?
The InChIKey is UYIWMZMYOYGPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN3O/c1-10(2)13-12(14(16)19(6)18-13)8-17-9-15(4,5)7-11(3)20/h10-11,17,20H,7-9H2,1-6H3.
What are the key properties of 5-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol?
5-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol has a molecular weight of 301.86 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 111467957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).