2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol

C10H19N3O — CID 65337680

IUPAC2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol
SMILESCC(NCCn1cccn1)C(C)(C)O
InChIInChI=1S/C10H19N3O/c1-9(10(2,3)14)11-6-8-13-7-4-5-12-13/h4-5,7,9,11,14H,6,8H2,1-3H3
InChIKeyBWBFZNLNPQTXOU-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.63
Rot. Bonds5

About 2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol

2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol (PubChem CID 65337680) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol
PubChem CID65337680
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol
SMILESCC(NCCn1cccn1)C(C)(C)O
InChIInChI=1S/C10H19N3O/c1-9(10(2,3)14)11-6-8-13-7-4-5-12-13/h4-5,7,9,11,14H,6,8H2,1-3H3
InChIKeyBWBFZNLNPQTXOU-UHFFFAOYSA-N
XLogP0.63
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 65025560
2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine
CID 61459650
1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459928
1-iodo-3-methyl-N-(2-pyrazol-1-ylethyl)butan-2-amine
CID 107859401
4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol
CID 104891912
N-(2-pyrazol-1-ylethyl)heptan-4-amine
CID 61460010
3-(2-pyrazol-1-ylethylamino)butanamide
CID 115676497
N'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide
CID 77031329
1-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61463069
4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine
CID 115888843
3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol
CID 54951683
2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol
CID 110012210

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol?
The IUPAC name of 2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol (CID 65337680) is 2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol?
The canonical SMILES for 2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol is CC(NCCn1cccn1)C(C)(C)O.
What is the InChIKey of 2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol?
The InChIKey is BWBFZNLNPQTXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(10(2,3)14)11-6-8-13-7-4-5-12-13/h4-5,7,9,11,14H,6,8H2,1-3H3.
What are the key properties of 2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol?
2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol is sourced from PubChem (CID 65337680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).