1-phenyl-3-propan-2-yloxypyrazole

C12H14N2O — CID 176705910

IUPAC1-phenyl-3-propan-2-yloxypyrazole
SMILESCC(C)Oc1ccn(-c2ccccc2)n1
InChIInChI=1S/C12H14N2O/c1-10(2)15-12-8-9-14(13-12)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyMXBIHRFRFHNFHW-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.66
Rot. Bonds3

About 1-phenyl-3-propan-2-yloxypyrazole

1-phenyl-3-propan-2-yloxypyrazole (PubChem CID 176705910) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-phenyl-3-propan-2-yloxypyrazole.

Molecular Properties

Compound Name1-phenyl-3-propan-2-yloxypyrazole
PubChem CID176705910
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-phenyl-3-propan-2-yloxypyrazole
SMILESCC(C)Oc1ccn(-c2ccccc2)n1
InChIInChI=1S/C12H14N2O/c1-10(2)15-12-8-9-14(13-12)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyMXBIHRFRFHNFHW-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

(2R)-N-phenyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819963
(2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819911
(2S)-N-cyclopentyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819947
(2R)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 100828979
(2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 100828980
2-(1-phenylpyrazol-3-yl)oxy-N-propan-2-ylacetamide
CID 100820004
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100828981
2-(1-phenylpyrazol-3-yl)oxy-N-(2-pyridin-2-ylethyl)propanamide
CID 102567154
3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide
CID 100819977
N-butan-2-yl-2-(1-phenylpyrazol-3-yl)oxyacetamide
CID 171133241
ethane;3-methyl-1-phenylpyrazole
CID 91357840
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819925

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-propan-2-yloxypyrazole?
The IUPAC name of 1-phenyl-3-propan-2-yloxypyrazole (CID 176705910) is 1-phenyl-3-propan-2-yloxypyrazole.
What is the SMILES notation for 1-phenyl-3-propan-2-yloxypyrazole?
The canonical SMILES for 1-phenyl-3-propan-2-yloxypyrazole is CC(C)Oc1ccn(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-3-propan-2-yloxypyrazole?
The InChIKey is MXBIHRFRFHNFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-10(2)15-12-8-9-14(13-12)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 1-phenyl-3-propan-2-yloxypyrazole?
1-phenyl-3-propan-2-yloxypyrazole 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-phenyl-3-propan-2-yloxypyrazole is sourced from PubChem (CID 176705910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).