3-(4-fluorophenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole

C20H17FN2 — CID 2732996

IUPAC3-(4-fluorophenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole
SMILESCN1N=C(c2ccc3ccccc3c2)CC1c1ccc(F)cc1
InChIInChI=1S/C20H17FN2/c1-23-20(15-8-10-18(21)11-9-15)13-19(22-23)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,20H,13H2,1H3
InChIKeyJZSWCYFJQHYSAS-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.76
Rot. Bonds2

About 3-(4-fluorophenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole

3-(4-fluorophenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole (PubChem CID 2732996) has the molecular formula C20H17FN2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole
PubChem CID2732996
Molecular FormulaC20H17FN2
Molecular Weight304.37 g/mol
Exact Mass304.14
IUPAC Name3-(4-fluorophenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole
SMILESCN1N=C(c2ccc3ccccc3c2)CC1c1ccc(F)cc1
InChIInChI=1S/C20H17FN2/c1-23-20(15-8-10-18(21)11-9-15)13-19(22-23)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,20H,13H2,1H3
InChIKeyJZSWCYFJQHYSAS-UHFFFAOYSA-N
XLogP4.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 3-(4-fluorophenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole (CID 2732996) is 3-(4-fluorophenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole is CN1N=C(c2ccc3ccccc3c2)CC1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole?
The InChIKey is JZSWCYFJQHYSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2/c1-23-20(15-8-10-18(21)11-9-15)13-19(22-23)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,20H,13H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole?
3-(4-fluorophenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole has a molecular weight of 304.37 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 2732996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).