3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol

C12H21N3O — CID 115977863

IUPAC3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCc1c(CNC2CC(O)C2(C)C)cnn1C
InChIInChI=1S/C12H21N3O/c1-8-9(7-14-15(8)4)6-13-10-5-11(16)12(10,2)3/h7,10-11,13,16H,5-6H2,1-4H3
InChIKeyCDGAJMPDAQGVLQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.98
Rot. Bonds3

About 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol

3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 115977863) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID115977863
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCc1c(CNC2CC(O)C2(C)C)cnn1C
InChIInChI=1S/C12H21N3O/c1-8-9(7-14-15(8)4)6-13-10-5-11(16)12(10,2)3/h7,10-11,13,16H,5-6H2,1-4H3
InChIKeyCDGAJMPDAQGVLQ-UHFFFAOYSA-N
XLogP0.98
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-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

2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol
CID 112633838
4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 79579556
2,2-dimethyl-3-[(3-methylimidazol-4-yl)methylamino]cyclobutan-1-ol
CID 114629012
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 112639955
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 103851896
N-[(1,5-dimethylpyrazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 103851850
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine
CID 79578616
3-[(1,5-dimethylpyrazol-4-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 79596652
1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 79578467
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 79578518
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
CID 102795070
2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol
CID 112633293

Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol (CID 115977863) is 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol is Cc1c(CNC2CC(O)C2(C)C)cnn1C.
What is the InChIKey of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is CDGAJMPDAQGVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8-9(7-14-15(8)4)6-13-10-5-11(16)12(10,2)3/h7,10-11,13,16H,5-6H2,1-4H3.
What are the key properties of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 115977863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).