3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol

C10H19N3O — CID 80689060

IUPAC3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
SMILESCC(O)C(C)NCCc1cnn(C)c1
InChIInChI=1S/C10H19N3O/c1-8(9(2)14)11-5-4-10-6-12-13(3)7-10/h6-9,11,14H,4-5H2,1-3H3
InChIKeyYZLGRGSCDSJZRW-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.32
Rot. Bonds5

About 3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol

3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol (PubChem CID 80689060) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
PubChem CID80689060
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
SMILESCC(O)C(C)NCCc1cnn(C)c1
InChIInChI=1S/C10H19N3O/c1-8(9(2)14)11-5-4-10-6-12-13(3)7-10/h6-9,11,14H,4-5H2,1-3H3
InChIKeyYZLGRGSCDSJZRW-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-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

4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103001980
2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol
CID 103000884
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 103002168
3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]butanoic acid
CID 103004675
4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 103947686
4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine
CID 103015314
N,N-dimethyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]propanamide
CID 80688817
4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
CID 115710852
4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 104628271
1-(4-iodophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682809
N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 80682119
1-(1-methylimidazol-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682912

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol?
The IUPAC name of 3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol (CID 80689060) is 3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol?
The canonical SMILES for 3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol is CC(O)C(C)NCCc1cnn(C)c1.
What is the InChIKey of 3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol?
The InChIKey is YZLGRGSCDSJZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(9(2)14)11-5-4-10-6-12-13(3)7-10/h6-9,11,14H,4-5H2,1-3H3.
What are the key properties of 3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol?
3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 80689060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).