3-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylhexan-1-ol

C14H27N3O — CID 114357716

IUPAC3-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylhexan-1-ol
SMILESCCc1c(C)nn(C(CO)C(N)CC(C)C)c1C
InChIInChI=1S/C14H27N3O/c1-6-12-10(4)16-17(11(12)5)14(8-18)13(15)7-9(2)3/h9,13-14,18H,6-8,15H2,1-5H3
InChIKeyOHBWORKZWRNDPI-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.97
Rot. Bonds6

About 3-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylhexan-1-ol

3-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylhexan-1-ol (PubChem CID 114357716) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylhexan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylhexan-1-ol
PubChem CID114357716
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylhexan-1-ol
SMILESCCc1c(C)nn(C(CO)C(N)CC(C)C)c1C
InChIInChI=1S/C14H27N3O/c1-6-12-10(4)16-17(11(12)5)14(8-18)13(15)7-9(2)3/h9,13-14,18H,6-8,15H2,1-5H3
InChIKeyOHBWORKZWRNDPI-UHFFFAOYSA-N
XLogP1.97
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylhexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol
CID 114357711
2-amino-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-ol
CID 64811343
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-one
CID 64697316
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)butanoate
CID 64662065
N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-amine
CID 64707666
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutan-1-amine
CID 62566635
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine
CID 62442336
2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine
CID 23005875
3-amino-5-methyl-2-pyrazol-1-ylhexan-1-ol
CID 114357650
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-phenylacetate
CID 106676934
1-(4-chlorophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propan-1-one
CID 61237790
3-amino-5-methyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)hexan-1-ol
CID 114357784

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylhexan-1-ol?
The IUPAC name of 3-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylhexan-1-ol (CID 114357716) is 3-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylhexan-1-ol.
What is the SMILES notation for 3-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylhexan-1-ol?
The canonical SMILES for 3-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylhexan-1-ol is CCc1c(C)nn(C(CO)C(N)CC(C)C)c1C.
What is the InChIKey of 3-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylhexan-1-ol?
The InChIKey is OHBWORKZWRNDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-6-12-10(4)16-17(11(12)5)14(8-18)13(15)7-9(2)3/h9,13-14,18H,6-8,15H2,1-5H3.
What are the key properties of 3-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylhexan-1-ol?
3-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylhexan-1-ol has a molecular weight of 253.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylhexan-1-ol is sourced from PubChem (CID 114357716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).