3-[4-(2-hydroxyphenoxy)-3,5-dimethylpyrazol-1-yl]propanenitrile

C14H15N3O2 — CID 2360895

IUPAC3-[4-(2-hydroxyphenoxy)-3,5-dimethylpyrazol-1-yl]propanenitrile
SMILESCc1nn(CCC#N)c(C)c1Oc1ccccc1O
InChIInChI=1S/C14H15N3O2/c1-10-14(11(2)17(16-10)9-5-8-15)19-13-7-4-3-6-12(13)18/h3-4,6-7,18H,5,9H2,1-2H3
InChIKeyOIQRQFPNAWUWBX-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.91
Rot. Bonds4

About 3-[4-(2-hydroxyphenoxy)-3,5-dimethylpyrazol-1-yl]propanenitrile

3-[4-(2-hydroxyphenoxy)-3,5-dimethylpyrazol-1-yl]propanenitrile (PubChem CID 2360895) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[4-(2-hydroxyphenoxy)-3,5-dimethylpyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(2-hydroxyphenoxy)-3,5-dimethylpyrazol-1-yl]propanenitrile
PubChem CID2360895
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-[4-(2-hydroxyphenoxy)-3,5-dimethylpyrazol-1-yl]propanenitrile
SMILESCc1nn(CCC#N)c(C)c1Oc1ccccc1O
InChIInChI=1S/C14H15N3O2/c1-10-14(11(2)17(16-10)9-5-8-15)19-13-7-4-3-6-12(13)18/h3-4,6-7,18H,5,9H2,1-2H3
InChIKeyOIQRQFPNAWUWBX-UHFFFAOYSA-N
XLogP2.91
TPSA71.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-Dimethyl-pyrazol-1-yl)-3-phenoxy-propan-2-ol
CID 3127806
2-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yloxy)-phenol
CID 651391
2-[4-(2,5-Difluorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9922209
2-[3,5-Diethyl-4-(2-fluorophenoxy)pyrazol-1-yl]ethanol
CID 9814217
2-[3,5-Diethyl-4-(3-fluorophenoxy)pyrazol-1-yl]ethanol
CID 9965461
2-[1-(2-Hydroxyethyl)-3,5-dimethylpyrazol-4-yl]oxyphenol
CID 2360896
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 3239689
2-[4-(2,3-Difluorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 45486871
2-[3,5-Diethyl-4-(4-fluorophenoxy)pyrazol-1-yl]ethanol
CID 45486870
2-[4-(2,4-Difluorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 45486872
2-[4-(3,4-Difluorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 45486897
4-(2,4-Difluorophenoxy)-3-methoxy-1,5-dimethylpyrazole
CID 137424231

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyphenoxy)-3,5-dimethylpyrazol-1-yl]propanenitrile?
The IUPAC name of 3-[4-(2-hydroxyphenoxy)-3,5-dimethylpyrazol-1-yl]propanenitrile (CID 2360895) is 3-[4-(2-hydroxyphenoxy)-3,5-dimethylpyrazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(2-hydroxyphenoxy)-3,5-dimethylpyrazol-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(2-hydroxyphenoxy)-3,5-dimethylpyrazol-1-yl]propanenitrile is Cc1nn(CCC#N)c(C)c1Oc1ccccc1O.
What is the InChIKey of 3-[4-(2-hydroxyphenoxy)-3,5-dimethylpyrazol-1-yl]propanenitrile?
The InChIKey is OIQRQFPNAWUWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-14(11(2)17(16-10)9-5-8-15)19-13-7-4-3-6-12(13)18/h3-4,6-7,18H,5,9H2,1-2H3.
What are the key properties of 3-[4-(2-hydroxyphenoxy)-3,5-dimethylpyrazol-1-yl]propanenitrile?
3-[4-(2-hydroxyphenoxy)-3,5-dimethylpyrazol-1-yl]propanenitrile has a molecular weight of 257.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyphenoxy)-3,5-dimethylpyrazol-1-yl]propanenitrile is sourced from PubChem (CID 2360895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).