5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol

C12H22ClN3O — CID 64811965

IUPAC5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCn1cc(Cl)cn1
InChIInChI=1S/C12H22ClN3O/c1-3-6-14-12(2,10-17)5-4-7-16-9-11(13)8-15-16/h8-9,14,17H,3-7,10H2,1-2H3
InChIKeySXEZRDLWAGVZOC-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.07
Rot. Bonds8

About 5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol

5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64811965) has the molecular formula C12H22ClN3O and a molecular weight of 259.78 g/mol. Its IUPAC name is 5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64811965
Molecular FormulaC12H22ClN3O
Molecular Weight259.78 g/mol
Exact Mass259.15
IUPAC Name5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCn1cc(Cl)cn1
InChIInChI=1S/C12H22ClN3O/c1-3-6-14-12(2,10-17)5-4-7-16-9-11(13)8-15-16/h8-9,14,17H,3-7,10H2,1-2H3
InChIKeySXEZRDLWAGVZOC-UHFFFAOYSA-N
XLogP2.07
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol (CID 64811965) is 5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CCCn1cc(Cl)cn1.
What is the InChIKey of 5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is SXEZRDLWAGVZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3O/c1-3-6-14-12(2,10-17)5-4-7-16-9-11(13)8-15-16/h8-9,14,17H,3-7,10H2,1-2H3.
What are the key properties of 5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol?
5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 259.78 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64811965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).