[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone

C11H11ClF4N4O2 — CID 4218307

IUPAC[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone
SMILESCc1c(Cl)c(C(=O)N2N=C(C(F)F)CC2(O)C(F)F)nn1C
InChIInChI=1S/C11H11ClF4N4O2/c1-4-6(12)7(18-19(4)2)9(21)20-11(22,10(15)16)3-5(17-20)8(13)14/h8,10,22H,3H2,1-2H3
InChIKeyRPAPXGIAPMMUFL-UHFFFAOYSA-N
MW342.68 g/mol
LogP1.80
Rot. Bonds3

About [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone

[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone (PubChem CID 4218307) has the molecular formula C11H11ClF4N4O2 and a molecular weight of 342.68 g/mol. Its IUPAC name is [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone
PubChem CID4218307
Molecular FormulaC11H11ClF4N4O2
Molecular Weight342.68 g/mol
Exact Mass342.05
IUPAC Name[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone
SMILESCc1c(Cl)c(C(=O)N2N=C(C(F)F)CC2(O)C(F)F)nn1C
InChIInChI=1S/C11H11ClF4N4O2/c1-4-6(12)7(18-19(4)2)9(21)20-11(22,10(15)16)3-5(17-20)8(13)14/h8,10,22H,3H2,1-2H3
InChIKeyRPAPXGIAPMMUFL-UHFFFAOYSA-N
XLogP1.80
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.68
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone (CID 4218307) is [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone is Cc1c(Cl)c(C(=O)N2N=C(C(F)F)CC2(O)C(F)F)nn1C.
What is the InChIKey of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is RPAPXGIAPMMUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF4N4O2/c1-4-6(12)7(18-19(4)2)9(21)20-11(22,10(15)16)3-5(17-20)8(13)14/h8,10,22H,3H2,1-2H3.
What are the key properties of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone?
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 342.68 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 4218307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).