3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-2-methylbutan-2-ol

C13H25N3O — CID 65337677

IUPAC3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-2-methylbutan-2-ol
SMILESCc1nn(C(C)C)c(C)c1NC(C)C(C)(C)O
InChIInChI=1S/C13H25N3O/c1-8(2)16-10(4)12(9(3)15-16)14-11(5)13(6,7)17/h8,11,14,17H,1-7H3
InChIKeyXGIZJWCZIRTZBU-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.65
Rot. Bonds4

About 3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-2-methylbutan-2-ol

3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-2-methylbutan-2-ol (PubChem CID 65337677) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-2-methylbutan-2-ol
PubChem CID65337677
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-2-methylbutan-2-ol
SMILESCc1nn(C(C)C)c(C)c1NC(C)C(C)(C)O
InChIInChI=1S/C13H25N3O/c1-8(2)16-10(4)12(9(3)15-16)14-11(5)13(6,7)17/h8,11,14,17H,1-7H3
InChIKeyXGIZJWCZIRTZBU-UHFFFAOYSA-N
XLogP2.65
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-2-methylbutan-2-ol (CID 65337677) is 3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-2-methylbutan-2-ol is Cc1nn(C(C)C)c(C)c1NC(C)C(C)(C)O.
What is the InChIKey of 3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-2-methylbutan-2-ol?
The InChIKey is XGIZJWCZIRTZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-8(2)16-10(4)12(9(3)15-16)14-11(5)13(6,7)17/h8,11,14,17H,1-7H3.
What are the key properties of 3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-2-methylbutan-2-ol?
3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-2-methylbutan-2-ol has a molecular weight of 239.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 65337677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).