1-(4-propan-2-yloxyphenyl)pyrazole

C12H14N2O — CID 171743656

IUPAC1-(4-propan-2-yloxyphenyl)pyrazole
SMILESCC(C)Oc1ccc(-n2cccn2)cc1
InChIInChI=1S/C12H14N2O/c1-10(2)15-12-6-4-11(5-7-12)14-9-3-8-13-14/h3-10H,1-2H3
InChIKeyLFUPXLIJKRRPKH-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.66
Rot. Bonds3

About 1-(4-propan-2-yloxyphenyl)pyrazole

1-(4-propan-2-yloxyphenyl)pyrazole (PubChem CID 171743656) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)pyrazole.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)pyrazole
PubChem CID171743656
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(4-propan-2-yloxyphenyl)pyrazole
SMILESCC(C)Oc1ccc(-n2cccn2)cc1
InChIInChI=1S/C12H14N2O/c1-10(2)15-12-6-4-11(5-7-12)14-9-3-8-13-14/h3-10H,1-2H3
InChIKeyLFUPXLIJKRRPKH-UHFFFAOYSA-N
XLogP2.66
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-yloxyphenyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111039683
1-[4-(4-fluorophenoxy)phenyl]pyrazole
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2-propan-2-yl-4-(4-pyrazol-1-ylphenoxy)pyrimidine
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1-(4-hexoxyphenyl)pyrazole
CID 67650161
1-(4-pyrazol-1-ylphenyl)propan-2-ol
CID 83675061
1-(4-pyrazol-1-ylphenyl)propan-1-amine
CID 103693301
1-(4-bromophenyl)pyrazole
CID 10443564
N-(1-ethoxypropan-2-yl)-4-pyrazol-1-ylaniline
CID 75483453
N-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline
CID 97337940
(2R)-3-(4-pyrazol-1-ylphenoxy)propane-1,2-diol
CID 171439964
tert-butyl (4-pyrazol-1-ylphenyl) carbonate
CID 56794074
3-[(1R)-1-methoxyethyl]-5-(4-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole
CID 100743288

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)pyrazole?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)pyrazole (CID 171743656) is 1-(4-propan-2-yloxyphenyl)pyrazole.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)pyrazole?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)pyrazole is CC(C)Oc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)pyrazole?
The InChIKey is LFUPXLIJKRRPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-10(2)15-12-6-4-11(5-7-12)14-9-3-8-13-14/h3-10H,1-2H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)pyrazole?
1-(4-propan-2-yloxyphenyl)pyrazole has a molecular weight of 202.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)pyrazole is sourced from PubChem (CID 171743656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).