1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol

C14H18ClN3O2 — CID 61462609

IUPAC1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
SMILESOC(CNCCn1cccn1)COc1ccccc1Cl
InChIInChI=1S/C14H18ClN3O2/c15-13-4-1-2-5-14(13)20-11-12(19)10-16-7-9-18-8-3-6-17-18/h1-6,8,12,16,19H,7,9-11H2
InChIKeySHRSAVNTBPCRJO-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.57
Rot. Bonds8

About 1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol

1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol (PubChem CID 61462609) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
PubChem CID61462609
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
SMILESOC(CNCCn1cccn1)COc1ccccc1Cl
InChIInChI=1S/C14H18ClN3O2/c15-13-4-1-2-5-14(13)20-11-12(19)10-16-7-9-18-8-3-6-17-18/h1-6,8,12,16,19H,7,9-11H2
InChIKeySHRSAVNTBPCRJO-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 115579730
(2S)-1-(4-bromophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 94200272
1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 63932971
1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol
CID 113465593
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea
CID 83121783
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 95352501
5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160245
1-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61462857
1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411596
(2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol
CID 51699355
1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 61463199
4-[(2-chlorophenoxy)methyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
CID 19503232

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol?
The IUPAC name of 1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol (CID 61462609) is 1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol?
The canonical SMILES for 1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol is OC(CNCCn1cccn1)COc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol?
The InChIKey is SHRSAVNTBPCRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-13-4-1-2-5-14(13)20-11-12(19)10-16-7-9-18-8-3-6-17-18/h1-6,8,12,16,19H,7,9-11H2.
What are the key properties of 1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol?
1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol has a molecular weight of 295.77 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol is sourced from PubChem (CID 61462609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).