1-(4-chloropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol

C14H17ClN2O2 — CID 109411848

IUPAC1-(4-chloropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
SMILESCCc1ccc(OCC(O)Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C14H17ClN2O2/c1-2-11-3-5-14(6-4-11)19-10-13(18)9-17-8-12(15)7-16-17/h3-8,13,18H,2,9-10H2,1H3
InChIKeyWSPIXNQPIUWVCI-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.54
Rot. Bonds6

About 1-(4-chloropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol

1-(4-chloropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol (PubChem CID 109411848) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-(4-chloropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
PubChem CID109411848
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name1-(4-chloropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
SMILESCCc1ccc(OCC(O)Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C14H17ClN2O2/c1-2-11-3-5-14(6-4-11)19-10-13(18)9-17-8-12(15)7-16-17/h3-8,13,18H,2,9-10H2,1H3
InChIKeyWSPIXNQPIUWVCI-UHFFFAOYSA-N
XLogP2.54
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenoxy)-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 109411759
1-[(4-chlorophenyl)methoxy]-3-(4-chloropyrazol-1-yl)propan-2-ol
CID 109411868
1-[3-[(2S)-3-(4-chloropyrazol-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 97327179
1-(4-aminophenoxy)-3-(4-methylpyrazol-1-yl)propan-2-ol
CID 62266674
1-(4-chloropyrazol-1-yl)-3-(3-nitrophenoxy)propan-2-ol
CID 75432712
1-benzhydryloxy-3-(4-chloropyrazol-1-yl)propan-2-ol
CID 109411858
[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 6940355
2-(4-chloropyrazol-1-yl)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide
CID 19538631
1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 109411239
N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 55073469
1-(4-chlorophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3747847
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 71960280

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol?
The IUPAC name of 1-(4-chloropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol (CID 109411848) is 1-(4-chloropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-chloropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol?
The canonical SMILES for 1-(4-chloropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol is CCc1ccc(OCC(O)Cn2cc(Cl)cn2)cc1.
What is the InChIKey of 1-(4-chloropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol?
The InChIKey is WSPIXNQPIUWVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-2-11-3-5-14(6-4-11)19-10-13(18)9-17-8-12(15)7-16-17/h3-8,13,18H,2,9-10H2,1H3.
What are the key properties of 1-(4-chloropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol?
1-(4-chloropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol has a molecular weight of 280.75 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol is sourced from PubChem (CID 109411848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).