1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol

C9H16ClN3O — CID 114665843

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1c(Cl)cnn1C
InChIInChI=1S/C9H16ClN3O/c1-6(2)11-5-8(14)9-7(10)4-12-13(9)3/h4,6,8,11,14H,5H2,1-3H3
InChIKeyUZZCPMZKWJOLEI-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.10
Rot. Bonds4

About 1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol

1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol (PubChem CID 114665843) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol
PubChem CID114665843
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1c(Cl)cnn1C
InChIInChI=1S/C9H16ClN3O/c1-6(2)11-5-8(14)9-7(10)4-12-13(9)3/h4,6,8,11,14H,5H2,1-3H3
InChIKeyUZZCPMZKWJOLEI-UHFFFAOYSA-N
XLogP1.10
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol
CID 83829412
1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol
CID 115836696
1-(4-chloro-1-methylpyrazol-5-yl)nonan-1-ol
CID 115836753
1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol
CID 114635666
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol
CID 114643322
1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol
CID 115836779
1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635183
3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine
CID 114662988
1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylbutan-1-amine
CID 114647517
2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine
CID 83827347
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 114635695
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfanylethanol
CID 114644292

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol (CID 114665843) is 1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol is CC(C)NCC(O)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol?
The InChIKey is UZZCPMZKWJOLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O/c1-6(2)11-5-8(14)9-7(10)4-12-13(9)3/h4,6,8,11,14H,5H2,1-3H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol?
1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol has a molecular weight of 217.70 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 114665843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).