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

C11H21N3O — CID 64811343

IUPAC2-amino-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-ol
SMILESCCc1c(C)nn(CCC(N)CO)c1C
InChIInChI=1S/C11H21N3O/c1-4-11-8(2)13-14(9(11)3)6-5-10(12)7-15/h10,15H,4-7,12H2,1-3H3
InChIKeyWLZPOMXGNMFNKL-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.77
Rot. Bonds5

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

2-amino-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-ol (PubChem CID 64811343) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-amino-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-amino-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-ol
PubChem CID64811343
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-amino-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-ol
SMILESCCc1c(C)nn(CCC(N)CO)c1C
InChIInChI=1S/C11H21N3O/c1-4-11-8(2)13-14(9(11)3)6-5-10(12)7-15/h10,15H,4-7,12H2,1-3H3
InChIKeyWLZPOMXGNMFNKL-UHFFFAOYSA-N
XLogP0.77
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-1-ol
CID 62229176
2-ethoxy-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-amine
CID 63071239
2-amino-2-ethyl-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-1-ol
CID 106810069
5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64810713
1-amino-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylhexan-2-ol
CID 64821440
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]heptan-2-amine
CID 62567200
1-(2-azidoethyl)-4-ethyl-3,5-dimethylpyrazole
CID 61396466
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate
CID 50888392
6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylhexan-3-amine
CID 106800316
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanamine
CID 61238330
2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol
CID 115696021
1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol
CID 64821238

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-ol?
The IUPAC name of 2-amino-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-ol (CID 64811343) is 2-amino-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-ol.
What is the SMILES notation for 2-amino-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-ol?
The canonical SMILES for 2-amino-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-ol is CCc1c(C)nn(CCC(N)CO)c1C.
What is the InChIKey of 2-amino-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-ol?
The InChIKey is WLZPOMXGNMFNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-11-8(2)13-14(9(11)3)6-5-10(12)7-15/h10,15H,4-7,12H2,1-3H3.
What are the key properties of 2-amino-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-ol?
2-amino-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-ol is sourced from PubChem (CID 64811343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).