5-chloro-3-phenyl-1-propan-2-ylpyrazole

C12H13ClN2 — CID 66023040

IUPAC5-chloro-3-phenyl-1-propan-2-ylpyrazole
SMILESCC(C)n1nc(-c2ccccc2)cc1Cl
InChIInChI=1S/C12H13ClN2/c1-9(2)15-12(13)8-11(14-15)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyYQXSJGYEIAVWFB-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.78
Rot. Bonds2

About 5-chloro-3-phenyl-1-propan-2-ylpyrazole

5-chloro-3-phenyl-1-propan-2-ylpyrazole (PubChem CID 66023040) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 5-chloro-3-phenyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-chloro-3-phenyl-1-propan-2-ylpyrazole
PubChem CID66023040
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name5-chloro-3-phenyl-1-propan-2-ylpyrazole
SMILESCC(C)n1nc(-c2ccccc2)cc1Cl
InChIInChI=1S/C12H13ClN2/c1-9(2)15-12(13)8-11(14-15)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyYQXSJGYEIAVWFB-UHFFFAOYSA-N
XLogP3.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-phenyl-1-propan-2-ylpyrazole?
The IUPAC name of 5-chloro-3-phenyl-1-propan-2-ylpyrazole (CID 66023040) is 5-chloro-3-phenyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 5-chloro-3-phenyl-1-propan-2-ylpyrazole?
The canonical SMILES for 5-chloro-3-phenyl-1-propan-2-ylpyrazole is CC(C)n1nc(-c2ccccc2)cc1Cl.
What is the InChIKey of 5-chloro-3-phenyl-1-propan-2-ylpyrazole?
The InChIKey is YQXSJGYEIAVWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-9(2)15-12(13)8-11(14-15)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 5-chloro-3-phenyl-1-propan-2-ylpyrazole?
5-chloro-3-phenyl-1-propan-2-ylpyrazole has a molecular weight of 220.70 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-phenyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 66023040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).