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

C20H17ClN2O — CID 56950413

IUPAC3-(4-chlorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(c3ccccc3)C(c3ccc(Cl)cc3)C2)o1
InChIInChI=1S/C20H17ClN2O/c1-14-7-12-20(24-14)18-13-19(15-8-10-16(21)11-9-15)23(22-18)17-5-3-2-4-6-17/h2-12,19H,13H2,1H3
InChIKeyIUOKALMITODSHM-UHFFFAOYSA-N
MW336.82 g/mol
LogP5.60
Rot. Bonds3

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

3-(4-chlorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 56950413) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole
PubChem CID56950413
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name3-(4-chlorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(c3ccccc3)C(c3ccc(Cl)cc3)C2)o1
InChIInChI=1S/C20H17ClN2O/c1-14-7-12-20(24-14)18-13-19(15-8-10-16(21)11-9-15)23(22-18)17-5-3-2-4-6-17/h2-12,19H,13H2,1H3
InChIKeyIUOKALMITODSHM-UHFFFAOYSA-N
XLogP5.60
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.82
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
(3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
CID 102160984
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369
5-(furan-2-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 171349522
N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 40539104
4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135591660
(3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7392937
(5R,10bS)-9-chloro-2-(5-methylfuran-2-yl)-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 11906945
(5S,10bR)-9-chloro-2-(5-methylfuran-2-yl)-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7499198
5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46185758
2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole
CID 135029399
5-[5-[(E)-2-(4-chlorophenyl)ethenyl]furan-2-yl]-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole
CID 14870885

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole (CID 56950413) is 3-(4-chlorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole is Cc1ccc(C2=NN(c3ccccc3)C(c3ccc(Cl)cc3)C2)o1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is IUOKALMITODSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c1-14-7-12-20(24-14)18-13-19(15-8-10-16(21)11-9-15)23(22-18)17-5-3-2-4-6-17/h2-12,19H,13H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole?
3-(4-chlorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 336.82 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 56950413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).