3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol

C12H23N3O — CID 111422037

IUPAC3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol
SMILESCc1nn(C)c(C)c1CNCC(O)C(C)C
InChIInChI=1S/C12H23N3O/c1-8(2)12(16)7-13-6-11-9(3)14-15(5)10(11)4/h8,12-13,16H,6-7H2,1-5H3
InChIKeyONAWDKMUVXZODI-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.14
Rot. Bonds5

About 3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol

3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol (PubChem CID 111422037) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol
PubChem CID111422037
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol
SMILESCc1nn(C)c(C)c1CNCC(O)C(C)C
InChIInChI=1S/C12H23N3O/c1-8(2)12(16)7-13-6-11-9(3)14-15(5)10(11)4/h8,12-13,16H,6-7H2,1-5H3
InChIKeyONAWDKMUVXZODI-UHFFFAOYSA-N
XLogP1.14
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]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

3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 66092719
2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 78958688
2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
CID 79236503
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 79254884
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]but-2-yn-1-amine
CID 79006322
1-cyclopentyloxy-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 78989836
1-(2,4-difluorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol
CID 112727185
N'-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 113410291
3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 60595894
propan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate
CID 79237085
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 61013259
1-hexoxy-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 78989733

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol?
The IUPAC name of 3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol (CID 111422037) is 3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol?
The canonical SMILES for 3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol is Cc1nn(C)c(C)c1CNCC(O)C(C)C.
What is the InChIKey of 3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol?
The InChIKey is ONAWDKMUVXZODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-8(2)12(16)7-13-6-11-9(3)14-15(5)10(11)4/h8,12-13,16H,6-7H2,1-5H3.
What are the key properties of 3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol?
3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol has a molecular weight of 225.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol is sourced from PubChem (CID 111422037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).