3-(2,5-difluorophenyl)spiro[1,4-dihydropyrazole-5,4'-2,3-dihydro-1H-naphthalene]

C18H16F2N2 — CID 71011359

IUPAC3-(2,5-difluorophenyl)spiro[1,4-dihydropyrazole-5,4'-2,3-dihydro-1H-naphthalene]
SMILESFc1ccc(F)c(C2=NNC3(CCCc4ccccc43)C2)c1
InChIInChI=1S/C18H16F2N2/c19-13-7-8-16(20)14(10-13)17-11-18(22-21-17)9-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-8,10,22H,3,5,9,11H2
InChIKeyWEKMZTLHQMITCP-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.89
Rot. Bonds1

About 3-(2,5-difluorophenyl)spiro[1,4-dihydropyrazole-5,4'-2,3-dihydro-1H-naphthalene]

3-(2,5-difluorophenyl)spiro[1,4-dihydropyrazole-5,4'-2,3-dihydro-1H-naphthalene] (PubChem CID 71011359) has the molecular formula C18H16F2N2 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)spiro[1,4-dihydropyrazole-5,4'-2,3-dihydro-1H-naphthalene].

Molecular Properties

Compound Name3-(2,5-difluorophenyl)spiro[1,4-dihydropyrazole-5,4'-2,3-dihydro-1H-naphthalene]
PubChem CID71011359
Molecular FormulaC18H16F2N2
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-(2,5-difluorophenyl)spiro[1,4-dihydropyrazole-5,4'-2,3-dihydro-1H-naphthalene]
SMILESFc1ccc(F)c(C2=NNC3(CCCc4ccccc43)C2)c1
InChIInChI=1S/C18H16F2N2/c19-13-7-8-16(20)14(10-13)17-11-18(22-21-17)9-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-8,10,22H,3,5,9,11H2
InChIKeyWEKMZTLHQMITCP-UHFFFAOYSA-N
XLogP3.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)spiro[1,4-dihydropyrazole-5,4'-2,3-dihydro-1H-naphthalene]?
The IUPAC name of 3-(2,5-difluorophenyl)spiro[1,4-dihydropyrazole-5,4'-2,3-dihydro-1H-naphthalene] (CID 71011359) is 3-(2,5-difluorophenyl)spiro[1,4-dihydropyrazole-5,4'-2,3-dihydro-1H-naphthalene].
What is the SMILES notation for 3-(2,5-difluorophenyl)spiro[1,4-dihydropyrazole-5,4'-2,3-dihydro-1H-naphthalene]?
The canonical SMILES for 3-(2,5-difluorophenyl)spiro[1,4-dihydropyrazole-5,4'-2,3-dihydro-1H-naphthalene] is Fc1ccc(F)c(C2=NNC3(CCCc4ccccc43)C2)c1.
What is the InChIKey of 3-(2,5-difluorophenyl)spiro[1,4-dihydropyrazole-5,4'-2,3-dihydro-1H-naphthalene]?
The InChIKey is WEKMZTLHQMITCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2/c19-13-7-8-16(20)14(10-13)17-11-18(22-21-17)9-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-8,10,22H,3,5,9,11H2.
What are the key properties of 3-(2,5-difluorophenyl)spiro[1,4-dihydropyrazole-5,4'-2,3-dihydro-1H-naphthalene]?
3-(2,5-difluorophenyl)spiro[1,4-dihydropyrazole-5,4'-2,3-dihydro-1H-naphthalene] has a molecular weight of 298.34 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)spiro[1,4-dihydropyrazole-5,4'-2,3-dihydro-1H-naphthalene] is sourced from PubChem (CID 71011359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).