(4-fluorophenyl)-[3-(5-methylfuran-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone

C21H17FN2O2 — CID 11841112

IUPAC(4-fluorophenyl)-[3-(5-methylfuran-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1ccc(C2CC(c3ccccc3)=NN2C(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C21H17FN2O2/c1-14-7-12-20(26-14)19-13-18(15-5-3-2-4-6-15)23-24(19)21(25)16-8-10-17(22)11-9-16/h2-12,19H,13H2,1H3
InChIKeyRDWXFXAWCFYOCS-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.72
Rot. Bonds3

About (4-fluorophenyl)-[3-(5-methylfuran-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone

(4-fluorophenyl)-[3-(5-methylfuran-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 11841112) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(5-methylfuran-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(5-methylfuran-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID11841112
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name(4-fluorophenyl)-[3-(5-methylfuran-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1ccc(C2CC(c3ccccc3)=NN2C(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C21H17FN2O2/c1-14-7-12-20(26-14)19-13-18(15-5-3-2-4-6-15)23-24(19)21(25)16-8-10-17(22)11-9-16/h2-12,19H,13H2,1H3
InChIKeyRDWXFXAWCFYOCS-UHFFFAOYSA-N
XLogP4.72
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1,3-diphenylpyrazol-4-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone
CID 155811304
[(3R)-5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 57392485
[(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 42108901
N-[3-[(3R)-2-acetyl-3-(5-methylfuran-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 97071270
[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone
CID 71198157
[(3S)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 1039127
[3-(4-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3753761
[(3R)-5-(4-bromophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 57394186
(4-bromophenyl)-[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone
CID 40971632
(4-bromophenyl)-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 7233080
1-[(3R)-5-(1,3-benzodioxol-5-yl)-3-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 42588861
[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3098588

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(5-methylfuran-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(5-methylfuran-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone (CID 11841112) is (4-fluorophenyl)-[3-(5-methylfuran-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(5-methylfuran-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(5-methylfuran-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone is Cc1ccc(C2CC(c3ccccc3)=NN2C(=O)c2ccc(F)cc2)o1.
What is the InChIKey of (4-fluorophenyl)-[3-(5-methylfuran-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is RDWXFXAWCFYOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-14-7-12-20(26-14)19-13-18(15-5-3-2-4-6-15)23-24(19)21(25)16-8-10-17(22)11-9-16/h2-12,19H,13H2,1H3.
What are the key properties of (4-fluorophenyl)-[3-(5-methylfuran-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone?
(4-fluorophenyl)-[3-(5-methylfuran-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 348.38 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(5-methylfuran-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 11841112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).