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

C13H16ClN3O2 — CID 79770932

IUPAC1-(4-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
SMILESCn1cc(NCC(O)COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H16ClN3O2/c1-17-8-11(6-16-17)15-7-12(18)9-19-13-4-2-10(14)3-5-13/h2-6,8,12,15,18H,7,9H2,1H3
InChIKeyDKAQQTWMHUIZIJ-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.93
Rot. Bonds6

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

1-(4-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol (PubChem CID 79770932) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
PubChem CID79770932
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name1-(4-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
SMILESCn1cc(NCC(O)COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H16ClN3O2/c1-17-8-11(6-16-17)15-7-12(18)9-19-13-4-2-10(14)3-5-13/h2-6,8,12,15,18H,7,9H2,1H3
InChIKeyDKAQQTWMHUIZIJ-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-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 79779141
1-(2-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 79779553
1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
CID 23856239
1-(3-bromo-5-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 167794124
1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol
CID 63488455
(2S)-1-(4-chlorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol
CID 95349657
1-(4-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79769854
(2R)-1-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 96705490
1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 115989757
1-(4-bromophenoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349091
(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 39359453
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol (CID 79770932) is 1-(4-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol is Cn1cc(NCC(O)COc2ccc(Cl)cc2)cn1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol?
The InChIKey is DKAQQTWMHUIZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-17-8-11(6-16-17)15-7-12(18)9-19-13-4-2-10(14)3-5-13/h2-6,8,12,15,18H,7,9H2,1H3.
What are the key properties of 1-(4-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol?
1-(4-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-(4-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol is sourced from PubChem (CID 79770932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).