(2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone

C20H10Cl2F2N2O2 — CID 10273546

IUPAC(2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)n1ccc(-c2ccc(-c3ccc(F)cc3F)o2)n1
InChIInChI=1S/C20H10Cl2F2N2O2/c21-11-1-3-13(15(22)9-11)20(27)26-8-7-17(25-26)19-6-5-18(28-19)14-4-2-12(23)10-16(14)24/h1-10H
InChIKeyXNSRUBXOCUNFBQ-UHFFFAOYSA-N
MW419.21 g/mol
LogP6.08
Rot. Bonds3

About (2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone

(2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone (PubChem CID 10273546) has the molecular formula C20H10Cl2F2N2O2 and a molecular weight of 419.21 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone
PubChem CID10273546
Molecular FormulaC20H10Cl2F2N2O2
Molecular Weight419.21 g/mol
Exact Mass418.01
IUPAC Name(2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)n1ccc(-c2ccc(-c3ccc(F)cc3F)o2)n1
InChIInChI=1S/C20H10Cl2F2N2O2/c21-11-1-3-13(15(22)9-11)20(27)26-8-7-17(25-26)19-6-5-18(28-19)14-4-2-12(23)10-16(14)24/h1-10H
InChIKeyXNSRUBXOCUNFBQ-UHFFFAOYSA-N
XLogP6.08
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.21
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-Dichlorophenyl)-[5-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone
CID 2805864
2-chloro-6-fluoro-N-{[5-(furan-2-yl)-1-(2-methoxyethyl)-1H-pyrazol-3-yl]methyl}benzamide
CID 71797368
2,4-dichloro-N-(2-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1-{[(2-furylmethyl)amino]carbonyl}vinyl)benzamide
CID 1621948
1-[5-(4-chlorophenyl)-3'-(furan-2-yl)-1'-phenyl-3,4-dihydro-1'H,2H-[3,4'-bipyrazole]-2-yl]ethan-1-one
CID 16335918
2-chloro-4-fluoro-N-{[5-(furan-2-yl)-1-methyl-1H-pyrazol-3-yl]methyl}benzamide
CID 71797306
2,4-dichloro-N-[1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 4231408
N-[[1-[3-chloro-4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]-N-methylethanamine
CID 67245445
2-[1-[5-[4-Chloro-3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-yl]pyrazole-3-carboxamide
CID 141652248
4-[3-(benzofuran-2-yl)-1h-pyrazol-1-yl]-N-(2,4-dichlorophenyl)benzamide
CID 172876460
N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053430
(3-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)(phenyl)methanone
CID 1472275
(4-chlorophenyl)(3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-1H-pyrazol-1-yl)methanone
CID 2767754

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone (CID 10273546) is (2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone is O=C(c1ccc(Cl)cc1Cl)n1ccc(-c2ccc(-c3ccc(F)cc3F)o2)n1.
What is the InChIKey of (2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone?
The InChIKey is XNSRUBXOCUNFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2F2N2O2/c21-11-1-3-13(15(22)9-11)20(27)26-8-7-17(25-26)19-6-5-18(28-19)14-4-2-12(23)10-16(14)24/h1-10H.
What are the key properties of (2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone?
(2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone has a molecular weight of 419.21 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone is sourced from PubChem (CID 10273546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).