1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol

C13H16ClN3O2 — CID 79779141

IUPAC1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
SMILESCn1cc(NCC(O)COc2cccc(Cl)c2)cn1
InChIInChI=1S/C13H16ClN3O2/c1-17-8-11(6-16-17)15-7-12(18)9-19-13-4-2-3-10(14)5-13/h2-6,8,12,15,18H,7,9H2,1H3
InChIKeySNZYJCFCHZZOBY-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.93
Rot. Bonds6

About 1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol

1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol (PubChem CID 79779141) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
PubChem CID79779141
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
SMILESCn1cc(NCC(O)COc2cccc(Cl)c2)cn1
InChIInChI=1S/C13H16ClN3O2/c1-17-8-11(6-16-17)15-7-12(18)9-19-13-4-2-3-10(14)5-13/h2-6,8,12,15,18H,7,9H2,1H3
InChIKeySNZYJCFCHZZOBY-UHFFFAOYSA-N
XLogP1.93
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 79770932
1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 105082685
1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol
CID 60899743
1-(2-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 79779553
1-(3-bromo-5-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 167794124
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901406
[1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
CID 103025590
1-(2-chloro-4-fluoroanilino)-3-(3-chlorophenoxy)propan-2-ol
CID 60899861
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 60632879
1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81394090
1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 60970986

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol (CID 79779141) is 1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol is Cn1cc(NCC(O)COc2cccc(Cl)c2)cn1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol?
The InChIKey is SNZYJCFCHZZOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-17-8-11(6-16-17)15-7-12(18)9-19-13-4-2-3-10(14)5-13/h2-6,8,12,15,18H,7,9H2,1H3.
What are the key properties of 1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol?
1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol has a molecular weight of 281.74 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol is sourced from PubChem (CID 79779141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).