3-[3-(2-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]-3-(4-fluorophenyl)cyclobutan-1-ol

C20H18ClFN2O — CID 59694412

IUPAC3-[3-(2-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]-3-(4-fluorophenyl)cyclobutan-1-ol
SMILESCc1c(-c2ccccc2Cl)n[nH]c1C1(c2ccc(F)cc2)CC(O)C1
InChIInChI=1S/C20H18ClFN2O/c1-12-18(16-4-2-3-5-17(16)21)23-24-19(12)20(10-15(25)11-20)13-6-8-14(22)9-7-13/h2-9,15,25H,10-11H2,1H3,(H,23,24)
InChIKeyONHPGYSHOOUICV-UHFFFAOYSA-N
MW356.83 g/mol
LogP4.62
Rot. Bonds3

About 3-[3-(2-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]-3-(4-fluorophenyl)cyclobutan-1-ol

3-[3-(2-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]-3-(4-fluorophenyl)cyclobutan-1-ol (PubChem CID 59694412) has the molecular formula C20H18ClFN2O and a molecular weight of 356.83 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]-3-(4-fluorophenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]-3-(4-fluorophenyl)cyclobutan-1-ol
PubChem CID59694412
Molecular FormulaC20H18ClFN2O
Molecular Weight356.83 g/mol
Exact Mass356.11
IUPAC Name3-[3-(2-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]-3-(4-fluorophenyl)cyclobutan-1-ol
SMILESCc1c(-c2ccccc2Cl)n[nH]c1C1(c2ccc(F)cc2)CC(O)C1
InChIInChI=1S/C20H18ClFN2O/c1-12-18(16-4-2-3-5-17(16)21)23-24-19(12)20(10-15(25)11-20)13-6-8-14(22)9-7-13/h2-9,15,25H,10-11H2,1H3,(H,23,24)
InChIKeyONHPGYSHOOUICV-UHFFFAOYSA-N
XLogP4.62
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]-3-(4-fluorophenyl)cyclobutan-1-ol?
The IUPAC name of 3-[3-(2-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]-3-(4-fluorophenyl)cyclobutan-1-ol (CID 59694412) is 3-[3-(2-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]-3-(4-fluorophenyl)cyclobutan-1-ol.
What is the SMILES notation for 3-[3-(2-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]-3-(4-fluorophenyl)cyclobutan-1-ol?
The canonical SMILES for 3-[3-(2-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]-3-(4-fluorophenyl)cyclobutan-1-ol is Cc1c(-c2ccccc2Cl)n[nH]c1C1(c2ccc(F)cc2)CC(O)C1.
What is the InChIKey of 3-[3-(2-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]-3-(4-fluorophenyl)cyclobutan-1-ol?
The InChIKey is ONHPGYSHOOUICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O/c1-12-18(16-4-2-3-5-17(16)21)23-24-19(12)20(10-15(25)11-20)13-6-8-14(22)9-7-13/h2-9,15,25H,10-11H2,1H3,(H,23,24).
What are the key properties of 3-[3-(2-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]-3-(4-fluorophenyl)cyclobutan-1-ol?
3-[3-(2-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]-3-(4-fluorophenyl)cyclobutan-1-ol has a molecular weight of 356.83 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]-3-(4-fluorophenyl)cyclobutan-1-ol is sourced from PubChem (CID 59694412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).