1-[4-(4-methylpyrazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol

C16H18N4O2 — CID 167915136

IUPAC1-[4-(4-methylpyrazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1cnn(-c2ccc(OCC(O)Cn3cccn3)cc2)c1
InChIInChI=1S/C16H18N4O2/c1-13-9-18-20(10-13)14-3-5-16(6-4-14)22-12-15(21)11-19-8-2-7-17-19/h2-10,15,21H,11-12H2,1H3
InChIKeyRSKCXRGJBKFNKJ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.82
Rot. Bonds6

About 1-[4-(4-methylpyrazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol

1-[4-(4-methylpyrazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 167915136) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[4-(4-methylpyrazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(4-methylpyrazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol
PubChem CID167915136
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-[4-(4-methylpyrazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1cnn(-c2ccc(OCC(O)Cn3cccn3)cc2)c1
InChIInChI=1S/C16H18N4O2/c1-13-9-18-20(10-13)14-3-5-16(6-4-14)22-12-15(21)11-19-8-2-7-17-19/h2-10,15,21H,11-12H2,1H3
InChIKeyRSKCXRGJBKFNKJ-UHFFFAOYSA-N
XLogP1.82
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411608
(2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 40793174
1-(4-aminophenoxy)-3-(4-methylpyrazol-1-yl)propan-2-ol
CID 62266674
(2R)-3-(4-pyrazol-1-ylphenoxy)propane-1,2-diol
CID 171439964
1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone
CID 109411614
(2R)-1-methoxy-3-pyrazol-1-ylpropan-2-ol
CID 131206814
(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol
CID 40549247
(2S)-1-(3-nitrophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 97327143
1-(4-chloropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 109411848
(2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol
CID 696935
1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411596
(2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100843595

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpyrazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[4-(4-methylpyrazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol (CID 167915136) is 1-[4-(4-methylpyrazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[4-(4-methylpyrazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[4-(4-methylpyrazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol is Cc1cnn(-c2ccc(OCC(O)Cn3cccn3)cc2)c1.
What is the InChIKey of 1-[4-(4-methylpyrazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is RSKCXRGJBKFNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-13-9-18-20(10-13)14-3-5-16(6-4-14)22-12-15(21)11-19-8-2-7-17-19/h2-10,15,21H,11-12H2,1H3.
What are the key properties of 1-[4-(4-methylpyrazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol?
1-[4-(4-methylpyrazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 298.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpyrazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 167915136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).