2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol

C9H16ClN3O — CID 164658431

IUPAC2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol
SMILESCC(N)C(O)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C9H16ClN3O/c1-5(2)13-8(7(10)4-12-13)9(14)6(3)11/h4-6,9,14H,11H2,1-3H3
InChIKeyUYWAFBUVIHIXIE-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.50
Rot. Bonds3

About 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol

2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol (PubChem CID 164658431) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol
PubChem CID164658431
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol
SMILESCC(N)C(O)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C9H16ClN3O/c1-5(2)13-8(7(10)4-12-13)9(14)6(3)11/h4-6,9,14H,11H2,1-3H3
InChIKeyUYWAFBUVIHIXIE-UHFFFAOYSA-N
XLogP1.50
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635180
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635606
4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol
CID 114644194
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dichlorophenyl)ethanamine
CID 114649247
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835241
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylethanamine
CID 105041731
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-amine
CID 114652830
7-bicyclo[4.1.0]heptanyl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041966
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643216
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine
CID 114655949
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine
CID 114646229
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol
CID 114643493

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol?
The IUPAC name of 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol (CID 164658431) is 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol?
The canonical SMILES for 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol is CC(N)C(O)c1c(Cl)cnn1C(C)C.
What is the InChIKey of 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol?
The InChIKey is UYWAFBUVIHIXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O/c1-5(2)13-8(7(10)4-12-13)9(14)6(3)11/h4-6,9,14H,11H2,1-3H3.
What are the key properties of 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol?
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol has a molecular weight of 217.70 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol is sourced from PubChem (CID 164658431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).