4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole

C30H26N4O2 — CID 3909065

IUPAC4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole
SMILESCOc1ccc(C2=NN(c3ccccc3)C(c3cn(-c4ccccc4)nc3-c3ccc(C)o3)C2)cc1
InChIInChI=1S/C30H26N4O2/c1-21-13-18-29(36-21)30-26(20-33(32-30)23-9-5-3-6-10-23)28-19-27(22-14-16-25(35-2)17-15-22)31-34(28)24-11-7-4-8-12-24/h3-18,20,28H,19H2,1-2H3
InChIKeyVKROCJJYXSVPIO-UHFFFAOYSA-N
MW474.56 g/mol
LogP6.81
Rot. Bonds6

About 4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole

4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole (PubChem CID 3909065) has the molecular formula C30H26N4O2 and a molecular weight of 474.56 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole
PubChem CID3909065
Molecular FormulaC30H26N4O2
Molecular Weight474.56 g/mol
Exact Mass474.21
IUPAC Name4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole
SMILESCOc1ccc(C2=NN(c3ccccc3)C(c3cn(-c4ccccc4)nc3-c3ccc(C)o3)C2)cc1
InChIInChI=1S/C30H26N4O2/c1-21-13-18-29(36-21)30-26(20-33(32-30)23-9-5-3-6-10-23)28-19-27(22-14-16-25(35-2)17-15-22)31-34(28)24-11-7-4-8-12-24/h3-18,20,28H,19H2,1-2H3
InChIKeyVKROCJJYXSVPIO-UHFFFAOYSA-N
XLogP6.81
TPSA55.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-3-naphthalen-2-yl-1-phenylpyrazole
CID 25321666
4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-naphthalen-2-yl-1-phenylpyrazole
CID 3452431
3-(4-methoxyphenyl)-4-[(3S)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole
CID 40920525
3-(4-fluorophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole
CID 71600462
1-(4-bromophenyl)-4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-(4-methylphenyl)pyrazole
CID 118734047
4-[(3S)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 98387660
3-(3-methoxyphenyl)-4-[5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole
CID 16805041
1-[5-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]ethanone
CID 71600723
3-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1H-indole
CID 21240625
[3-(1,3-diphenylpyrazol-4-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone
CID 155811304
3-[(3S)-5-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]benzoic acid
CID 175667401
3-[5-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]benzoic acid
CID 146510925

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole?
The IUPAC name of 4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole (CID 3909065) is 4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole is COc1ccc(C2=NN(c3ccccc3)C(c3cn(-c4ccccc4)nc3-c3ccc(C)o3)C2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole?
The InChIKey is VKROCJJYXSVPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O2/c1-21-13-18-29(36-21)30-26(20-33(32-30)23-9-5-3-6-10-23)28-19-27(22-14-16-25(35-2)17-15-22)31-34(28)24-11-7-4-8-12-24/h3-18,20,28H,19H2,1-2H3.
What are the key properties of 4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole?
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole has a molecular weight of 474.56 g/mol, XLogP of 6.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole is sourced from PubChem (CID 3909065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).