1-[(2-chloro-6-fluorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole

C24H16ClF5N2O2 — CID 17025712

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole
SMILESFc1cccc(Cl)c1Cn1nc(-c2ccc(OC(F)F)cc2)cc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H16ClF5N2O2/c25-19-2-1-3-20(26)18(19)13-32-22(15-6-10-17(11-7-15)34-24(29)30)12-21(31-32)14-4-8-16(9-5-14)33-23(27)28/h1-12,23-24H,13H2
InChIKeyIEUGTHQDNXYDFT-UHFFFAOYSA-N
MW494.85 g/mol
LogP7.26
Rot. Bonds8

About 1-[(2-chloro-6-fluorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole

1-[(2-chloro-6-fluorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole (PubChem CID 17025712) has the molecular formula C24H16ClF5N2O2 and a molecular weight of 494.85 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole
PubChem CID17025712
Molecular FormulaC24H16ClF5N2O2
Molecular Weight494.85 g/mol
Exact Mass494.08
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole
SMILESFc1cccc(Cl)c1Cn1nc(-c2ccc(OC(F)F)cc2)cc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H16ClF5N2O2/c25-19-2-1-3-20(26)18(19)13-32-22(15-6-10-17(11-7-15)34-24(29)30)12-21(31-32)14-4-8-16(9-5-14)33-23(27)28/h1-12,23-24H,13H2
InChIKeyIEUGTHQDNXYDFT-UHFFFAOYSA-N
XLogP7.26
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.85
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole (CID 17025712) is 1-[(2-chloro-6-fluorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole is Fc1cccc(Cl)c1Cn1nc(-c2ccc(OC(F)F)cc2)cc1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
The InChIKey is IEUGTHQDNXYDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF5N2O2/c25-19-2-1-3-20(26)18(19)13-32-22(15-6-10-17(11-7-15)34-24(29)30)12-21(31-32)14-4-8-16(9-5-14)33-23(27)28/h1-12,23-24H,13H2.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
1-[(2-chloro-6-fluorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole has a molecular weight of 494.85 g/mol, XLogP of 7.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 17025712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).