5-(4-chloro-2-fluorophenyl)-2-methyl-3,4-dihydropyrazol-3-ol

C10H10ClFN2O — CID 91603405

IUPAC5-(4-chloro-2-fluorophenyl)-2-methyl-3,4-dihydropyrazol-3-ol
SMILESCN1N=C(c2ccc(Cl)cc2F)CC1O
InChIInChI=1S/C10H10ClFN2O/c1-14-10(15)5-9(13-14)7-3-2-6(11)4-8(7)12/h2-4,10,15H,5H2,1H3
InChIKeyIZCCYPLTPSLKRV-UHFFFAOYSA-N
MW228.65 g/mol
LogP1.84
Rot. Bonds1

About 5-(4-chloro-2-fluorophenyl)-2-methyl-3,4-dihydropyrazol-3-ol

5-(4-chloro-2-fluorophenyl)-2-methyl-3,4-dihydropyrazol-3-ol (PubChem CID 91603405) has the molecular formula C10H10ClFN2O and a molecular weight of 228.65 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-2-methyl-3,4-dihydropyrazol-3-ol.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-2-methyl-3,4-dihydropyrazol-3-ol
PubChem CID91603405
Molecular FormulaC10H10ClFN2O
Molecular Weight228.65 g/mol
Exact Mass228.05
IUPAC Name5-(4-chloro-2-fluorophenyl)-2-methyl-3,4-dihydropyrazol-3-ol
SMILESCN1N=C(c2ccc(Cl)cc2F)CC1O
InChIInChI=1S/C10H10ClFN2O/c1-14-10(15)5-9(13-14)7-3-2-6(11)4-8(7)12/h2-4,10,15H,5H2,1H3
InChIKeyIZCCYPLTPSLKRV-UHFFFAOYSA-N
XLogP1.84
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-2-methyl-3,4-dihydropyrazol-3-ol?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-2-methyl-3,4-dihydropyrazol-3-ol (CID 91603405) is 5-(4-chloro-2-fluorophenyl)-2-methyl-3,4-dihydropyrazol-3-ol.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-2-methyl-3,4-dihydropyrazol-3-ol?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-2-methyl-3,4-dihydropyrazol-3-ol is CN1N=C(c2ccc(Cl)cc2F)CC1O.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-2-methyl-3,4-dihydropyrazol-3-ol?
The InChIKey is IZCCYPLTPSLKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O/c1-14-10(15)5-9(13-14)7-3-2-6(11)4-8(7)12/h2-4,10,15H,5H2,1H3.
What are the key properties of 5-(4-chloro-2-fluorophenyl)-2-methyl-3,4-dihydropyrazol-3-ol?
5-(4-chloro-2-fluorophenyl)-2-methyl-3,4-dihydropyrazol-3-ol has a molecular weight of 228.65 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-2-methyl-3,4-dihydropyrazol-3-ol is sourced from PubChem (CID 91603405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).