1-chloro-3-[2-(2-pyrazol-1-ylethoxy)anilino]propan-2-ol

C14H18ClN3O2 — CID 168638956

IUPAC1-chloro-3-[2-(2-pyrazol-1-ylethoxy)anilino]propan-2-ol
SMILESOC(CCl)CNc1ccccc1OCCn1cccn1
InChIInChI=1S/C14H18ClN3O2/c15-10-12(19)11-16-13-4-1-2-5-14(13)20-9-8-18-7-3-6-17-18/h1-7,12,16,19H,8-11H2
InChIKeyVAIMPICPCWQDHL-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.97
Rot. Bonds8

About 1-chloro-3-[2-(2-pyrazol-1-ylethoxy)anilino]propan-2-ol

1-chloro-3-[2-(2-pyrazol-1-ylethoxy)anilino]propan-2-ol (PubChem CID 168638956) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-chloro-3-[2-(2-pyrazol-1-ylethoxy)anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[2-(2-pyrazol-1-ylethoxy)anilino]propan-2-ol
PubChem CID168638956
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-chloro-3-[2-(2-pyrazol-1-ylethoxy)anilino]propan-2-ol
SMILESOC(CCl)CNc1ccccc1OCCn1cccn1
InChIInChI=1S/C14H18ClN3O2/c15-10-12(19)11-16-13-4-1-2-5-14(13)20-9-8-18-7-3-6-17-18/h1-7,12,16,19H,8-11H2
InChIKeyVAIMPICPCWQDHL-UHFFFAOYSA-N
XLogP1.97
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_E(1)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 60897534
1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol
CID 168636481
3-(2-butoxyanilino)propane-1,2-diol
CID 168594733
1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61462609
1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60898605
3-(2-pyrazol-1-ylethoxy)pyridin-2-amine
CID 61491639
N-[[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114319805
1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60899299
3-(2-pyrazol-1-ylethoxy)naphthalene-2-carboxylic acid
CID 61491780
3-[2-(2-pyrazol-1-ylethoxy)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169344934
1-(2,5-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60898666
1-chloro-3-[2-(2-phenoxyethylamino)anilino]propan-2-ol
CID 168637327

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-(2-pyrazol-1-ylethoxy)anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[2-(2-pyrazol-1-ylethoxy)anilino]propan-2-ol (CID 168638956) is 1-chloro-3-[2-(2-pyrazol-1-ylethoxy)anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[2-(2-pyrazol-1-ylethoxy)anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[2-(2-pyrazol-1-ylethoxy)anilino]propan-2-ol is OC(CCl)CNc1ccccc1OCCn1cccn1.
What is the InChIKey of 1-chloro-3-[2-(2-pyrazol-1-ylethoxy)anilino]propan-2-ol?
The InChIKey is VAIMPICPCWQDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-10-12(19)11-16-13-4-1-2-5-14(13)20-9-8-18-7-3-6-17-18/h1-7,12,16,19H,8-11H2.
What are the key properties of 1-chloro-3-[2-(2-pyrazol-1-ylethoxy)anilino]propan-2-ol?
1-chloro-3-[2-(2-pyrazol-1-ylethoxy)anilino]propan-2-ol has a molecular weight of 295.77 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-(2-pyrazol-1-ylethoxy)anilino]propan-2-ol is sourced from PubChem (CID 168638956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).