[5-(3,4-dichlorophenyl)pyrazolidin-3-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

C15H15Cl2F3N4O2 — CID 73344877

IUPAC[5-(3,4-dichlorophenyl)pyrazolidin-3-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESCC1=NN(C(=O)C2CC(c3ccc(Cl)c(Cl)c3)NN2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C15H15Cl2F3N4O2/c1-7-6-14(26,15(18,19)20)24(23-7)13(25)12-5-11(21-22-12)8-2-3-9(16)10(17)4-8/h2-4,11-12,21-22,26H,5-6H2,1H3
InChIKeyMFXCJZZMAUMXRK-UHFFFAOYSA-N
MW411.21 g/mol
LogP2.76
Rot. Bonds2

About [5-(3,4-dichlorophenyl)pyrazolidin-3-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

[5-(3,4-dichlorophenyl)pyrazolidin-3-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (PubChem CID 73344877) has the molecular formula C15H15Cl2F3N4O2 and a molecular weight of 411.21 g/mol. Its IUPAC name is [5-(3,4-dichlorophenyl)pyrazolidin-3-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Name[5-(3,4-dichlorophenyl)pyrazolidin-3-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
PubChem CID73344877
Molecular FormulaC15H15Cl2F3N4O2
Molecular Weight411.21 g/mol
Exact Mass410.05
IUPAC Name[5-(3,4-dichlorophenyl)pyrazolidin-3-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESCC1=NN(C(=O)C2CC(c3ccc(Cl)c(Cl)c3)NN2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C15H15Cl2F3N4O2/c1-7-6-14(26,15(18,19)20)24(23-7)13(25)12-5-11(21-22-12)8-2-3-9(16)10(17)4-8/h2-4,11-12,21-22,26H,5-6H2,1H3
InChIKeyMFXCJZZMAUMXRK-UHFFFAOYSA-N
XLogP2.76
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.21
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dichlorophenyl)pyrazolidin-3-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The IUPAC name of [5-(3,4-dichlorophenyl)pyrazolidin-3-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CID 73344877) is [5-(3,4-dichlorophenyl)pyrazolidin-3-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for [5-(3,4-dichlorophenyl)pyrazolidin-3-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The canonical SMILES for [5-(3,4-dichlorophenyl)pyrazolidin-3-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is CC1=NN(C(=O)C2CC(c3ccc(Cl)c(Cl)c3)NN2)C(O)(C(F)(F)F)C1.
What is the InChIKey of [5-(3,4-dichlorophenyl)pyrazolidin-3-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The InChIKey is MFXCJZZMAUMXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2F3N4O2/c1-7-6-14(26,15(18,19)20)24(23-7)13(25)12-5-11(21-22-12)8-2-3-9(16)10(17)4-8/h2-4,11-12,21-22,26H,5-6H2,1H3.
What are the key properties of [5-(3,4-dichlorophenyl)pyrazolidin-3-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
[5-(3,4-dichlorophenyl)pyrazolidin-3-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone has a molecular weight of 411.21 g/mol, XLogP of 2.76, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dichlorophenyl)pyrazolidin-3-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 73344877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).