5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol

C13H25N3O — CID 107270383

IUPAC5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
SMILESCc1nn(C)c(C)c1C(C)NCCCC(C)O
InChIInChI=1S/C13H25N3O/c1-9(17)7-6-8-14-10(2)13-11(3)15-16(5)12(13)4/h9-10,14,17H,6-8H2,1-5H3
InChIKeyKNPLYPCNDZLKBS-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.85
Rot. Bonds6

About 5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol

5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol (PubChem CID 107270383) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
PubChem CID107270383
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
SMILESCc1nn(C)c(C)c1C(C)NCCCC(C)O
InChIInChI=1S/C13H25N3O/c1-9(17)7-6-8-14-10(2)13-11(3)15-16(5)12(13)4/h9-10,14,17H,6-8H2,1-5H3
InChIKeyKNPLYPCNDZLKBS-UHFFFAOYSA-N
XLogP1.85
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 62692855
3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 103776530
3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103783108
2-chloro-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]prop-2-en-1-amine
CID 115891116
2-hydroxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propanamide
CID 114153544
3-phenoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 62379121
2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 103460633
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107094110
N-[2-(3,5-difluorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 62604425
2-methyl-2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115726066
N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 103782851
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 113348518

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol?
The IUPAC name of 5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol (CID 107270383) is 5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol.
What is the SMILES notation for 5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol?
The canonical SMILES for 5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol is Cc1nn(C)c(C)c1C(C)NCCCC(C)O.
What is the InChIKey of 5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol?
The InChIKey is KNPLYPCNDZLKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(17)7-6-8-14-10(2)13-11(3)15-16(5)12(13)4/h9-10,14,17H,6-8H2,1-5H3.
What are the key properties of 5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol?
5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol has a molecular weight of 239.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol is sourced from PubChem (CID 107270383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).