4-(tert-butylamino)-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol

C17H33N3O — CID 66002071

IUPAC4-(tert-butylamino)-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
SMILESCCC(CC)n1ccc(CC(C)(O)CCNC(C)(C)C)n1
InChIInChI=1S/C17H33N3O/c1-7-15(8-2)20-12-9-14(19-20)13-17(6,21)10-11-18-16(3,4)5/h9,12,15,18,21H,7-8,10-11,13H2,1-6H3
InChIKeyCDHDNWHOSAHZNN-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.32
Rot. Bonds8

About 4-(tert-butylamino)-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol

4-(tert-butylamino)-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol (PubChem CID 66002071) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name4-(tert-butylamino)-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
PubChem CID66002071
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name4-(tert-butylamino)-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
SMILESCCC(CC)n1ccc(CC(C)(O)CCNC(C)(C)C)n1
InChIInChI=1S/C17H33N3O/c1-7-15(8-2)20-12-9-14(19-20)13-17(6,21)10-11-18-16(3,4)5/h9,12,15,18,21H,7-8,10-11,13H2,1-6H3
InChIKeyCDHDNWHOSAHZNN-UHFFFAOYSA-N
XLogP3.32
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(tert-butylamino)-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)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-methyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol
CID 80557979
6,6,6-trifluoro-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol
CID 116535858
1-(cyclopropylamino)-2-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 66038687
4-[2-hydroxy-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]phenol
CID 83058317
2,2-dimethyl-3-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-1-amine
CID 64778102
2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-N-propylpentan-1-amine
CID 64779477
N-[2-fluoro-3-(1-pentan-3-ylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 107446754
2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64779874
3-(4-bromo-2,2-dimethylpentyl)-1-pentan-3-ylpyrazole
CID 64778970
3,3-dimethyl-4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butan-1-ol
CID 106146536
2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64779471
1-chloro-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-2-amine
CID 65024614

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol?
The IUPAC name of 4-(tert-butylamino)-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol (CID 66002071) is 4-(tert-butylamino)-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for 4-(tert-butylamino)-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for 4-(tert-butylamino)-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol is CCC(CC)n1ccc(CC(C)(O)CCNC(C)(C)C)n1.
What is the InChIKey of 4-(tert-butylamino)-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol?
The InChIKey is CDHDNWHOSAHZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-7-15(8-2)20-12-9-14(19-20)13-17(6,21)10-11-18-16(3,4)5/h9,12,15,18,21H,7-8,10-11,13H2,1-6H3.
What are the key properties of 4-(tert-butylamino)-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol?
4-(tert-butylamino)-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol has a molecular weight of 295.47 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 66002071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).