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

C12H22ClN3O — CID 64809659

IUPAC4-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)n1cc(Cl)cn1
InChIInChI=1S/C12H22ClN3O/c1-4-5-14-12(3,9-17)6-10(2)16-8-11(13)7-15-16/h7-8,10,14,17H,4-6,9H2,1-3H3
InChIKeyZVBPMYPYPYPFRD-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.24
Rot. Bonds7

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

4-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64809659) has the molecular formula C12H22ClN3O and a molecular weight of 259.78 g/mol. Its IUPAC name is 4-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64809659
Molecular FormulaC12H22ClN3O
Molecular Weight259.78 g/mol
Exact Mass259.15
IUPAC Name4-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)n1cc(Cl)cn1
InChIInChI=1S/C12H22ClN3O/c1-4-5-14-12(3,9-17)6-10(2)16-8-11(13)7-15-16/h7-8,10,14,17H,4-6,9H2,1-3H3
InChIKeyZVBPMYPYPYPFRD-UHFFFAOYSA-N
XLogP2.24
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(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

Related Compounds

5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 64811965
methyl 4-(4-chloropyrazol-1-yl)-2-(ethylamino)-2-methylpentanoate
CID 64705428
4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64703087
2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64818569
4-imidazol-1-yl-2-methyl-2-(propylamino)pentan-1-ol
CID 64810680
4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64705270
ethyl 2-amino-4-(4-chloropyrazol-1-yl)-2-methylpentanoate
CID 64705267
ethyl 4-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoate
CID 64705271
2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol
CID 64796479
2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol
CID 64792229
2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)pentan-1-ol
CID 64787060
4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol
CID 64821326

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 4-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol (CID 64809659) is 4-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 4-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 4-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CC(C)n1cc(Cl)cn1.
What is the InChIKey of 4-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is ZVBPMYPYPYPFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3O/c1-4-5-14-12(3,9-17)6-10(2)16-8-11(13)7-15-16/h7-8,10,14,17H,4-6,9H2,1-3H3.
What are the key properties of 4-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol?
4-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 259.78 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64809659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).