2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butan-1-ol

C13H25N3O — CID 83086959

IUPAC2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1cn(C)nc1C(C)(C)C
InChIInChI=1S/C13H25N3O/c1-6-11(9-17)14-7-10-8-16(5)15-12(10)13(2,3)4/h8,11,14,17H,6-7,9H2,1-5H3
InChIKeyMQENWNKGARVEBI-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.58
Rot. Bonds5

About 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butan-1-ol

2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butan-1-ol (PubChem CID 83086959) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butan-1-ol
PubChem CID83086959
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1cn(C)nc1C(C)(C)C
InChIInChI=1S/C13H25N3O/c1-6-11(9-17)14-7-10-8-16(5)15-12(10)13(2,3)4/h8,11,14,17H,6-7,9H2,1-5H3
InChIKeyMQENWNKGARVEBI-UHFFFAOYSA-N
XLogP1.58
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butan-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

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-methoxybutan-2-amine
CID 83089395
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutan-1-ol
CID 83088814
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine
CID 106023294
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-phenylpropan-1-amine
CID 83090335
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutanamide
CID 106344336
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol
CID 83082881
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-methylhexan-2-amine
CID 83085723
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butanoic acid
CID 166224576
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]heptan-2-amine
CID 83086754
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 83092687
4-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-5-phenylpentanoic acid
CID 122046059
(2S)-2-[(1-methyltriazol-4-yl)methylamino]butan-1-ol
CID 104980852

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butan-1-ol (CID 83086959) is 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butan-1-ol is CCC(CO)NCc1cn(C)nc1C(C)(C)C.
What is the InChIKey of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butan-1-ol?
The InChIKey is MQENWNKGARVEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-11(9-17)14-7-10-8-16(5)15-12(10)13(2,3)4/h8,11,14,17H,6-7,9H2,1-5H3.
What are the key properties of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butan-1-ol?
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 83086959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).