3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol

C13H25N3O — CID 111449162

IUPAC3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1cn[nH]c1C(C)(C)C
InChIInChI=1S/C13H25N3O/c1-5-11(6-7-17)14-8-10-9-15-16-12(10)13(2,3)4/h9,11,14,17H,5-8H2,1-4H3,(H,15,16)
InChIKeyRMJSRHFKAULEAJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.96
Rot. Bonds6

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

3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol (PubChem CID 111449162) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol
PubChem CID111449162
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1cn[nH]c1C(C)(C)C
InChIInChI=1S/C13H25N3O/c1-5-11(6-7-17)14-8-10-9-15-16-12(10)13(2,3)4/h9,11,14,17H,5-8H2,1-4H3,(H,15,16)
InChIKeyRMJSRHFKAULEAJ-UHFFFAOYSA-N
XLogP1.96
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol?
The IUPAC name of 3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol (CID 111449162) is 3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol?
The canonical SMILES for 3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol is CCC(CCO)NCc1cn[nH]c1C(C)(C)C.
What is the InChIKey of 3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol?
The InChIKey is RMJSRHFKAULEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-11(6-7-17)14-8-10-9-15-16-12(10)13(2,3)4/h9,11,14,17H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol?
3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 111449162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).