2,2-dimethyl-5-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]pentan-1-ol

C15H27N3O — CID 46994365

IUPAC2,2-dimethyl-5-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]pentan-1-ol
SMILESC=CCn1cc(CNCCCC(C)(C)CO)c(C)n1
InChIInChI=1S/C15H27N3O/c1-5-9-18-11-14(13(2)17-18)10-16-8-6-7-15(3,4)12-19/h5,11,16,19H,1,6-10,12H2,2-4H3
InChIKeyMBLFJAKLUARSON-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.27
Rot. Bonds9

About 2,2-dimethyl-5-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]pentan-1-ol

2,2-dimethyl-5-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]pentan-1-ol (PubChem CID 46994365) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]pentan-1-ol
PubChem CID46994365
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2,2-dimethyl-5-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]pentan-1-ol
SMILESC=CCn1cc(CNCCCC(C)(C)CO)c(C)n1
InChIInChI=1S/C15H27N3O/c1-5-9-18-11-14(13(2)17-18)10-16-8-6-7-15(3,4)12-19/h5,11,16,19H,1,6-10,12H2,2-4H3
InChIKeyMBLFJAKLUARSON-UHFFFAOYSA-N
XLogP2.27
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]pentan-1-ol?
The IUPAC name of 2,2-dimethyl-5-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]pentan-1-ol (CID 46994365) is 2,2-dimethyl-5-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-5-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]pentan-1-ol?
The canonical SMILES for 2,2-dimethyl-5-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]pentan-1-ol is C=CCn1cc(CNCCCC(C)(C)CO)c(C)n1.
What is the InChIKey of 2,2-dimethyl-5-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]pentan-1-ol?
The InChIKey is MBLFJAKLUARSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-9-18-11-14(13(2)17-18)10-16-8-6-7-15(3,4)12-19/h5,11,16,19H,1,6-10,12H2,2-4H3.
What are the key properties of 2,2-dimethyl-5-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]pentan-1-ol?
2,2-dimethyl-5-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]pentan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 46994365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).