1-(2-chloro-4-propan-2-ylphenyl)pyrazole

C12H13ClN2 — CID 138661009

IUPAC1-(2-chloro-4-propan-2-ylphenyl)pyrazole
SMILESCC(C)c1ccc(-n2cccn2)c(Cl)c1
InChIInChI=1S/C12H13ClN2/c1-9(2)10-4-5-12(11(13)8-10)15-7-3-6-14-15/h3-9H,1-2H3
InChIKeyZUWKQRCMOSUNBS-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.65
Rot. Bonds2

About 1-(2-chloro-4-propan-2-ylphenyl)pyrazole

1-(2-chloro-4-propan-2-ylphenyl)pyrazole (PubChem CID 138661009) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 1-(2-chloro-4-propan-2-ylphenyl)pyrazole.

Molecular Properties

Compound Name1-(2-chloro-4-propan-2-ylphenyl)pyrazole
PubChem CID138661009
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name1-(2-chloro-4-propan-2-ylphenyl)pyrazole
SMILESCC(C)c1ccc(-n2cccn2)c(Cl)c1
InChIInChI=1S/C12H13ClN2/c1-9(2)10-4-5-12(11(13)8-10)15-7-3-6-14-15/h3-9H,1-2H3
InChIKeyZUWKQRCMOSUNBS-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-propan-2-ylphenyl)pyrazole?
The IUPAC name of 1-(2-chloro-4-propan-2-ylphenyl)pyrazole (CID 138661009) is 1-(2-chloro-4-propan-2-ylphenyl)pyrazole.
What is the SMILES notation for 1-(2-chloro-4-propan-2-ylphenyl)pyrazole?
The canonical SMILES for 1-(2-chloro-4-propan-2-ylphenyl)pyrazole is CC(C)c1ccc(-n2cccn2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-propan-2-ylphenyl)pyrazole?
The InChIKey is ZUWKQRCMOSUNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-9(2)10-4-5-12(11(13)8-10)15-7-3-6-14-15/h3-9H,1-2H3.
What are the key properties of 1-(2-chloro-4-propan-2-ylphenyl)pyrazole?
1-(2-chloro-4-propan-2-ylphenyl)pyrazole has a molecular weight of 220.70 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-propan-2-ylphenyl)pyrazole is sourced from PubChem (CID 138661009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).