4-(tert-butylamino)-1-(2,5-dimethylpyrazol-3-yl)-2-methylbutan-2-ol

C14H27N3O — CID 66002859

IUPAC4-(tert-butylamino)-1-(2,5-dimethylpyrazol-3-yl)-2-methylbutan-2-ol
SMILESCc1cc(CC(C)(O)CCNC(C)(C)C)n(C)n1
InChIInChI=1S/C14H27N3O/c1-11-9-12(17(6)16-11)10-14(5,18)7-8-15-13(2,3)4/h9,15,18H,7-8,10H2,1-6H3
InChIKeyOXZYMGUHKVTDLS-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.80
Rot. Bonds5

About 4-(tert-butylamino)-1-(2,5-dimethylpyrazol-3-yl)-2-methylbutan-2-ol

4-(tert-butylamino)-1-(2,5-dimethylpyrazol-3-yl)-2-methylbutan-2-ol (PubChem CID 66002859) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-(tert-butylamino)-1-(2,5-dimethylpyrazol-3-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(tert-butylamino)-1-(2,5-dimethylpyrazol-3-yl)-2-methylbutan-2-ol
PubChem CID66002859
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-(tert-butylamino)-1-(2,5-dimethylpyrazol-3-yl)-2-methylbutan-2-ol
SMILESCc1cc(CC(C)(O)CCNC(C)(C)C)n(C)n1
InChIInChI=1S/C14H27N3O/c1-11-9-12(17(6)16-11)10-14(5,18)7-8-15-13(2,3)4/h9,15,18H,7-8,10H2,1-6H3
InChIKeyOXZYMGUHKVTDLS-UHFFFAOYSA-N
XLogP1.80
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(tert-butylamino)-1-(2,5-dimethylpyrazol-3-yl)-2-methylbutan-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

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-1-(2,5-dimethylpyrazol-3-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(tert-butylamino)-1-(2,5-dimethylpyrazol-3-yl)-2-methylbutan-2-ol (CID 66002859) is 4-(tert-butylamino)-1-(2,5-dimethylpyrazol-3-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(tert-butylamino)-1-(2,5-dimethylpyrazol-3-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(tert-butylamino)-1-(2,5-dimethylpyrazol-3-yl)-2-methylbutan-2-ol is Cc1cc(CC(C)(O)CCNC(C)(C)C)n(C)n1.
What is the InChIKey of 4-(tert-butylamino)-1-(2,5-dimethylpyrazol-3-yl)-2-methylbutan-2-ol?
The InChIKey is OXZYMGUHKVTDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11-9-12(17(6)16-11)10-14(5,18)7-8-15-13(2,3)4/h9,15,18H,7-8,10H2,1-6H3.
What are the key properties of 4-(tert-butylamino)-1-(2,5-dimethylpyrazol-3-yl)-2-methylbutan-2-ol?
4-(tert-butylamino)-1-(2,5-dimethylpyrazol-3-yl)-2-methylbutan-2-ol has a molecular weight of 253.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-1-(2,5-dimethylpyrazol-3-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 66002859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).