1-(3-chloro-2-fluorophenyl)-4-propan-2-ylpyrazole

C12H12ClFN2 — CID 67473625

IUPAC1-(3-chloro-2-fluorophenyl)-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(-c2cccc(Cl)c2F)c1
InChIInChI=1S/C12H12ClFN2/c1-8(2)9-6-15-16(7-9)11-5-3-4-10(13)12(11)14/h3-8H,1-2H3
InChIKeyUKHNKZOOPGNALX-UHFFFAOYSA-N
MW238.69 g/mol
LogP3.79
Rot. Bonds2

About 1-(3-chloro-2-fluorophenyl)-4-propan-2-ylpyrazole

1-(3-chloro-2-fluorophenyl)-4-propan-2-ylpyrazole (PubChem CID 67473625) has the molecular formula C12H12ClFN2 and a molecular weight of 238.69 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-4-propan-2-ylpyrazole
PubChem CID67473625
Molecular FormulaC12H12ClFN2
Molecular Weight238.69 g/mol
Exact Mass238.07
IUPAC Name1-(3-chloro-2-fluorophenyl)-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(-c2cccc(Cl)c2F)c1
InChIInChI=1S/C12H12ClFN2/c1-8(2)9-6-15-16(7-9)11-5-3-4-10(13)12(11)14/h3-8H,1-2H3
InChIKeyUKHNKZOOPGNALX-UHFFFAOYSA-N
XLogP3.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-4-propan-2-ylpyrazole?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-4-propan-2-ylpyrazole (CID 67473625) is 1-(3-chloro-2-fluorophenyl)-4-propan-2-ylpyrazole.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-4-propan-2-ylpyrazole?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-4-propan-2-ylpyrazole is CC(C)c1cnn(-c2cccc(Cl)c2F)c1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-4-propan-2-ylpyrazole?
The InChIKey is UKHNKZOOPGNALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2/c1-8(2)9-6-15-16(7-9)11-5-3-4-10(13)12(11)14/h3-8H,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-4-propan-2-ylpyrazole?
1-(3-chloro-2-fluorophenyl)-4-propan-2-ylpyrazole has a molecular weight of 238.69 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-4-propan-2-ylpyrazole is sourced from PubChem (CID 67473625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).