4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-1-ol

C15H29N3O — CID 109482221

IUPAC4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-1-ol
SMILESCc1nn(C(C)(C)C)c(C)c1CNC(C)CCCO
InChIInChI=1S/C15H29N3O/c1-11(8-7-9-19)16-10-14-12(2)17-18(13(14)3)15(4,5)6/h11,16,19H,7-10H2,1-6H3
InChIKeyJZOLTWHVSSUMAP-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.51
Rot. Bonds6

About 4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-1-ol

4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-1-ol (PubChem CID 109482221) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-1-ol
PubChem CID109482221
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-1-ol
SMILESCc1nn(C(C)(C)C)c(C)c1CNC(C)CCCO
InChIInChI=1S/C15H29N3O/c1-11(8-7-9-19)16-10-14-12(2)17-18(13(14)3)15(4,5)6/h11,16,19H,7-10H2,1-6H3
InChIKeyJZOLTWHVSSUMAP-UHFFFAOYSA-N
XLogP2.51
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-1-ol (CID 109482221) is 4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-1-ol is Cc1nn(C(C)(C)C)c(C)c1CNC(C)CCCO.
What is the InChIKey of 4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-1-ol?
The InChIKey is JZOLTWHVSSUMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-11(8-7-9-19)16-10-14-12(2)17-18(13(14)3)15(4,5)6/h11,16,19H,7-10H2,1-6H3.
What are the key properties of 4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-1-ol?
4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-1-ol has a molecular weight of 267.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 109482221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).