3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol

C12H23N3O — CID 66452397

IUPAC3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol
SMILESCC(O)C(C)(C)CN(C)Cc1cnn(C)c1
InChIInChI=1S/C12H23N3O/c1-10(16)12(2,3)9-14(4)7-11-6-13-15(5)8-11/h6,8,10,16H,7,9H2,1-5H3
InChIKeyMBZOJVKQWUZKCV-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.26
Rot. Bonds5

About 3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol

3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol (PubChem CID 66452397) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol
PubChem CID66452397
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol
SMILESCC(O)C(C)(C)CN(C)Cc1cnn(C)c1
InChIInChI=1S/C12H23N3O/c1-10(16)12(2,3)9-14(4)7-11-6-13-15(5)8-11/h6,8,10,16H,7,9H2,1-5H3
InChIKeyMBZOJVKQWUZKCV-UHFFFAOYSA-N
XLogP1.26
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]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

2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol
CID 63193910
4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol
CID 62625333
2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 115665641
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62258803
N-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62260529
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61442014
(2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 103929109
2,2-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanethioamide
CID 65249255
1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 104752674
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
(1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol
CID 55183379

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol?
The IUPAC name of 3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol (CID 66452397) is 3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol?
The canonical SMILES for 3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol is CC(O)C(C)(C)CN(C)Cc1cnn(C)c1.
What is the InChIKey of 3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol?
The InChIKey is MBZOJVKQWUZKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(16)12(2,3)9-14(4)7-11-6-13-15(5)8-11/h6,8,10,16H,7,9H2,1-5H3.
What are the key properties of 3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol?
3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol has a molecular weight of 225.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol is sourced from PubChem (CID 66452397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).