(5-amino-1,3-dimethylpyrazol-4-yl)-[2-(difluoromethyl)piperazin-1-yl]methanone

C11H17F2N5O — CID 138002136

IUPAC(5-amino-1,3-dimethylpyrazol-4-yl)-[2-(difluoromethyl)piperazin-1-yl]methanone
SMILESCc1nn(C)c(N)c1C(=O)N1CCNCC1C(F)F
InChIInChI=1S/C11H17F2N5O/c1-6-8(10(14)17(2)16-6)11(19)18-4-3-15-5-7(18)9(12)13/h7,9,15H,3-5,14H2,1-2H3
InChIKeyFFEINAFYQSPIDU-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.01
Rot. Bonds2

About (5-amino-1,3-dimethylpyrazol-4-yl)-[2-(difluoromethyl)piperazin-1-yl]methanone

(5-amino-1,3-dimethylpyrazol-4-yl)-[2-(difluoromethyl)piperazin-1-yl]methanone (PubChem CID 138002136) has the molecular formula C11H17F2N5O and a molecular weight of 273.29 g/mol. Its IUPAC name is (5-amino-1,3-dimethylpyrazol-4-yl)-[2-(difluoromethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-1,3-dimethylpyrazol-4-yl)-[2-(difluoromethyl)piperazin-1-yl]methanone
PubChem CID138002136
Molecular FormulaC11H17F2N5O
Molecular Weight273.29 g/mol
Exact Mass273.14
IUPAC Name(5-amino-1,3-dimethylpyrazol-4-yl)-[2-(difluoromethyl)piperazin-1-yl]methanone
SMILESCc1nn(C)c(N)c1C(=O)N1CCNCC1C(F)F
InChIInChI=1S/C11H17F2N5O/c1-6-8(10(14)17(2)16-6)11(19)18-4-3-15-5-7(18)9(12)13/h7,9,15H,3-5,14H2,1-2H3
InChIKeyFFEINAFYQSPIDU-UHFFFAOYSA-N
XLogP-0.01
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3-dimethylpyrazol-4-yl)-[2-(difluoromethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-amino-1,3-dimethylpyrazol-4-yl)-[2-(difluoromethyl)piperazin-1-yl]methanone (CID 138002136) is (5-amino-1,3-dimethylpyrazol-4-yl)-[2-(difluoromethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-amino-1,3-dimethylpyrazol-4-yl)-[2-(difluoromethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-amino-1,3-dimethylpyrazol-4-yl)-[2-(difluoromethyl)piperazin-1-yl]methanone is Cc1nn(C)c(N)c1C(=O)N1CCNCC1C(F)F.
What is the InChIKey of (5-amino-1,3-dimethylpyrazol-4-yl)-[2-(difluoromethyl)piperazin-1-yl]methanone?
The InChIKey is FFEINAFYQSPIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N5O/c1-6-8(10(14)17(2)16-6)11(19)18-4-3-15-5-7(18)9(12)13/h7,9,15H,3-5,14H2,1-2H3.
What are the key properties of (5-amino-1,3-dimethylpyrazol-4-yl)-[2-(difluoromethyl)piperazin-1-yl]methanone?
(5-amino-1,3-dimethylpyrazol-4-yl)-[2-(difluoromethyl)piperazin-1-yl]methanone has a molecular weight of 273.29 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3-dimethylpyrazol-4-yl)-[2-(difluoromethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 138002136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).