1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-2-ol

C15H29N3O — CID 79389937

IUPAC1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-2-ol
SMILESCCC(CC)n1ccc(CN(CC)CC(C)(C)O)n1
InChIInChI=1S/C15H29N3O/c1-6-14(7-2)18-10-9-13(16-18)11-17(8-3)12-15(4,5)19/h9-10,14,19H,6-8,11-12H2,1-5H3
InChIKeyGRYNTGHVVCPRQI-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.84
Rot. Bonds8

About 1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-2-ol

1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-2-ol (PubChem CID 79389937) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-2-ol
PubChem CID79389937
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-2-ol
SMILESCCC(CC)n1ccc(CN(CC)CC(C)(C)O)n1
InChIInChI=1S/C15H29N3O/c1-6-14(7-2)18-10-9-13(16-18)11-17(8-3)12-15(4,5)19/h9-10,14,19H,6-8,11-12H2,1-5H3
InChIKeyGRYNTGHVVCPRQI-UHFFFAOYSA-N
XLogP2.84
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-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

N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64799832
N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 64800022
3-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 64784229
3-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropanethioamide
CID 64800753
2-N-ethyl-2-methyl-2-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]butane-1,2-diamine
CID 64800801
2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile
CID 64801479
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol
CID 80557979
3-[tert-butyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanoic acid
CID 64784799
1-[ethyl(pyrazin-2-ylmethyl)amino]-2-methylpropan-2-ol
CID 79389752
ethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetate
CID 64780042
4-[2-hydroxy-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]phenol
CID 83058317

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-2-ol (CID 79389937) is 1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-2-ol is CCC(CC)n1ccc(CN(CC)CC(C)(C)O)n1.
What is the InChIKey of 1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-2-ol?
The InChIKey is GRYNTGHVVCPRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-6-14(7-2)18-10-9-13(16-18)11-17(8-3)12-15(4,5)19/h9-10,14,19H,6-8,11-12H2,1-5H3.
What are the key properties of 1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-2-ol has a molecular weight of 267.42 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79389937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).