2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol

C12H23N3O — CID 115905958

IUPAC2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCCCC(CC)NCC(O)c1cnn(C)c1
InChIInChI=1S/C12H23N3O/c1-4-6-11(5-2)13-8-12(16)10-7-14-15(3)9-10/h7,9,11-13,16H,4-6,8H2,1-3H3
InChIKeyBXGLOEOXOPNLOR-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.62
Rot. Bonds7

About 2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol

2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 115905958) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID115905958
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCCCC(CC)NCC(O)c1cnn(C)c1
InChIInChI=1S/C12H23N3O/c1-4-6-11(5-2)13-8-12(16)10-7-14-15(3)9-10/h7,9,11-13,16H,4-6,8H2,1-3H3
InChIKeyBXGLOEOXOPNLOR-UHFFFAOYSA-N
XLogP1.62
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
CID 115723874
1-(1-methylpyrazol-4-yl)pentane-1,2-diol
CID 103454881
N-[1-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
CID 115704994
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 115888089
2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 61088216
2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 62693064
2-(1-methylpyrazol-4-yl)pentanoic acid
CID 83042529
1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 133323484
1-amino-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 82412738
N,2-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine
CID 43485884
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401

Frequently Asked Questions

What is the IUPAC name of 2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol (CID 115905958) is 2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol is CCCC(CC)NCC(O)c1cnn(C)c1.
What is the InChIKey of 2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is BXGLOEOXOPNLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-6-11(5-2)13-8-12(16)10-7-14-15(3)9-10/h7,9,11-13,16H,4-6,8H2,1-3H3.
What are the key properties of 2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol?
2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 225.34 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 115905958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).