5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole

C19H15ClN2O — CID 2834912

IUPAC5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole
SMILESClc1ccc(C2=NN(c3ccccc3)C(c3ccco3)C2)cc1
InChIInChI=1S/C19H15ClN2O/c20-15-10-8-14(9-11-15)17-13-18(19-7-4-12-23-19)22(21-17)16-5-2-1-3-6-16/h1-12,18H,13H2
InChIKeyAFDOVMFLHLZNFH-UHFFFAOYSA-N
MW322.80 g/mol
LogP5.29
Rot. Bonds3

About 5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole

5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 2834912) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole
PubChem CID2834912
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole
SMILESClc1ccc(C2=NN(c3ccccc3)C(c3ccco3)C2)cc1
InChIInChI=1S/C19H15ClN2O/c20-15-10-8-14(9-11-15)17-13-18(19-7-4-12-23-19)22(21-17)16-5-2-1-3-6-16/h1-12,18H,13H2
InChIKeyAFDOVMFLHLZNFH-UHFFFAOYSA-N
XLogP5.29
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.80
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Fluorophenyl)-5-(2-furyl)-1-phenyl-4,5-dihydro-1H-pyrazole
CID 2856224
5-(furan-2-yl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
CID 561651
5-(5-Methyl-2-furyl)-1,3-diphenyl-2-pyrazoline
CID 560996
5-(2-Furyl)-3-(4-nitrophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
CID 564008
1-[5-(4-Chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 3582260
2-chloro-1-(3-(4-chlorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
CID 5019322
5-(4-Fluorophenyl)-3-(furan-2-yl)-2-(4-methylphenyl)-3,4-dihydropyrazole
CID 2855982
3-(4-Fluorophenyl)-5-(2-furanyl)-2-phenyl-3,4-dihydropyrazole
CID 3119020
5-(2-furyl)-3-(2-{4-nitrophenyl}vinyl)-1-phenyl-4,5-dihydro-1H-pyrazole
CID 15945043
4-[2-(4-Cyanophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]benzoic acid
CID 46915786
1-[5-(4-Chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 3800804
3-[1-acetyl-5-(2-furyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-chloro-4-phenyl-2(1H)-quinolinone
CID 2872493

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole (CID 2834912) is 5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole is Clc1ccc(C2=NN(c3ccccc3)C(c3ccco3)C2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is AFDOVMFLHLZNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O/c20-15-10-8-14(9-11-15)17-13-18(19-7-4-12-23-19)22(21-17)16-5-2-1-3-6-16/h1-12,18H,13H2.
What are the key properties of 5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole?
5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 322.80 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 2834912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).