1-[3-(5-fluoro-2-propan-2-yloxyphenyl)-4-pyrazol-1-ylpyrazol-1-yl]-2-methylpropan-2-ol

C19H23FN4O2 — CID 141405363

IUPAC1-[3-(5-fluoro-2-propan-2-yloxyphenyl)-4-pyrazol-1-ylpyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)Oc1ccc(F)cc1-c1nn(CC(C)(C)O)cc1-n1cccn1
InChIInChI=1S/C19H23FN4O2/c1-13(2)26-17-7-6-14(20)10-15(17)18-16(24-9-5-8-21-24)11-23(22-18)12-19(3,4)25/h5-11,13,25H,12H2,1-4H3
InChIKeyHDKVZOSSSLQKGK-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.43
Rot. Bonds6

About 1-[3-(5-fluoro-2-propan-2-yloxyphenyl)-4-pyrazol-1-ylpyrazol-1-yl]-2-methylpropan-2-ol

1-[3-(5-fluoro-2-propan-2-yloxyphenyl)-4-pyrazol-1-ylpyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 141405363) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-[3-(5-fluoro-2-propan-2-yloxyphenyl)-4-pyrazol-1-ylpyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-(5-fluoro-2-propan-2-yloxyphenyl)-4-pyrazol-1-ylpyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID141405363
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name1-[3-(5-fluoro-2-propan-2-yloxyphenyl)-4-pyrazol-1-ylpyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)Oc1ccc(F)cc1-c1nn(CC(C)(C)O)cc1-n1cccn1
InChIInChI=1S/C19H23FN4O2/c1-13(2)26-17-7-6-14(20)10-15(17)18-16(24-9-5-8-21-24)11-23(22-18)12-19(3,4)25/h5-11,13,25H,12H2,1-4H3
InChIKeyHDKVZOSSSLQKGK-UHFFFAOYSA-N
XLogP3.43
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 72927545
1-[[3-(4-Methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-phenyltriazole
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US10155727, Example 68
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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoro-2-propan-2-yloxyphenyl)-4-pyrazol-1-ylpyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-(5-fluoro-2-propan-2-yloxyphenyl)-4-pyrazol-1-ylpyrazol-1-yl]-2-methylpropan-2-ol (CID 141405363) is 1-[3-(5-fluoro-2-propan-2-yloxyphenyl)-4-pyrazol-1-ylpyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-(5-fluoro-2-propan-2-yloxyphenyl)-4-pyrazol-1-ylpyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-(5-fluoro-2-propan-2-yloxyphenyl)-4-pyrazol-1-ylpyrazol-1-yl]-2-methylpropan-2-ol is CC(C)Oc1ccc(F)cc1-c1nn(CC(C)(C)O)cc1-n1cccn1.
What is the InChIKey of 1-[3-(5-fluoro-2-propan-2-yloxyphenyl)-4-pyrazol-1-ylpyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is HDKVZOSSSLQKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-13(2)26-17-7-6-14(20)10-15(17)18-16(24-9-5-8-21-24)11-23(22-18)12-19(3,4)25/h5-11,13,25H,12H2,1-4H3.
What are the key properties of 1-[3-(5-fluoro-2-propan-2-yloxyphenyl)-4-pyrazol-1-ylpyrazol-1-yl]-2-methylpropan-2-ol?
1-[3-(5-fluoro-2-propan-2-yloxyphenyl)-4-pyrazol-1-ylpyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 358.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoro-2-propan-2-yloxyphenyl)-4-pyrazol-1-ylpyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 141405363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).