4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol

C11H21N3O — CID 104891912

IUPAC4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol
SMILESCC(C)C(CCO)NCCn1cccn1
InChIInChI=1S/C11H21N3O/c1-10(2)11(4-9-15)12-6-8-14-7-3-5-13-14/h3,5,7,10-12,15H,4,6,8-9H2,1-2H3
InChIKeySDIKETUFXLTXTP-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.88
Rot. Bonds7

About 4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol

4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol (PubChem CID 104891912) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol
PubChem CID104891912
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol
SMILESCC(C)C(CCO)NCCn1cccn1
InChIInChI=1S/C11H21N3O/c1-10(2)11(4-9-15)12-6-8-14-7-3-5-13-14/h3,5,7,10-12,15H,4,6,8-9H2,1-2H3
InChIKeySDIKETUFXLTXTP-UHFFFAOYSA-N
XLogP0.88
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine
CID 61459650
1-iodo-3-methyl-N-(2-pyrazol-1-ylethyl)butan-2-amine
CID 107859401
4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine
CID 115888843
N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrazol-1-ylacetamide
CID 103782364
N-(2-pyrazol-1-ylethyl)heptan-4-amine
CID 61460010
2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol
CID 65337680
N'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide
CID 77031329
1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 65025560
3-(2-pyrazol-1-ylethylamino)butanamide
CID 115676497
1-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61463069
4-methyl-3-(3-methylbutylamino)pentan-1-ol
CID 104696133
(2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 103952125

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol?
The IUPAC name of 4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol (CID 104891912) is 4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol is CC(C)C(CCO)NCCn1cccn1.
What is the InChIKey of 4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol?
The InChIKey is SDIKETUFXLTXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10(2)11(4-9-15)12-6-8-14-7-3-5-13-14/h3,5,7,10-12,15H,4,6,8-9H2,1-2H3.
What are the key properties of 4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol?
4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol is sourced from PubChem (CID 104891912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).