4-cyclopropyl-3-(2,6-difluorophenyl)-1-propan-2-ylpyrazole

C15H16F2N2 — CID 142566060

IUPAC4-cyclopropyl-3-(2,6-difluorophenyl)-1-propan-2-ylpyrazole
SMILESCC(C)n1cc(C2CC2)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C15H16F2N2/c1-9(2)19-8-11(10-6-7-10)15(18-19)14-12(16)4-3-5-13(14)17/h3-5,8-10H,6-7H2,1-2H3
InChIKeyKSFQGEWVZBGWOZ-UHFFFAOYSA-N
MW262.30 g/mol
LogP4.29
Rot. Bonds3

About 4-cyclopropyl-3-(2,6-difluorophenyl)-1-propan-2-ylpyrazole

4-cyclopropyl-3-(2,6-difluorophenyl)-1-propan-2-ylpyrazole (PubChem CID 142566060) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 4-cyclopropyl-3-(2,6-difluorophenyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-cyclopropyl-3-(2,6-difluorophenyl)-1-propan-2-ylpyrazole
PubChem CID142566060
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name4-cyclopropyl-3-(2,6-difluorophenyl)-1-propan-2-ylpyrazole
SMILESCC(C)n1cc(C2CC2)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C15H16F2N2/c1-9(2)19-8-11(10-6-7-10)15(18-19)14-12(16)4-3-5-13(14)17/h3-5,8-10H,6-7H2,1-2H3
InChIKeyKSFQGEWVZBGWOZ-UHFFFAOYSA-N
XLogP4.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-(2,6-difluorophenyl)-1-propan-2-ylpyrazole?
The IUPAC name of 4-cyclopropyl-3-(2,6-difluorophenyl)-1-propan-2-ylpyrazole (CID 142566060) is 4-cyclopropyl-3-(2,6-difluorophenyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-cyclopropyl-3-(2,6-difluorophenyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 4-cyclopropyl-3-(2,6-difluorophenyl)-1-propan-2-ylpyrazole is CC(C)n1cc(C2CC2)c(-c2c(F)cccc2F)n1.
What is the InChIKey of 4-cyclopropyl-3-(2,6-difluorophenyl)-1-propan-2-ylpyrazole?
The InChIKey is KSFQGEWVZBGWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-9(2)19-8-11(10-6-7-10)15(18-19)14-12(16)4-3-5-13(14)17/h3-5,8-10H,6-7H2,1-2H3.
What are the key properties of 4-cyclopropyl-3-(2,6-difluorophenyl)-1-propan-2-ylpyrazole?
4-cyclopropyl-3-(2,6-difluorophenyl)-1-propan-2-ylpyrazole has a molecular weight of 262.30 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(2,6-difluorophenyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 142566060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).