5-(difluoromethoxy)-1-methyl-N-(2,4,5-trimethylpyrazol-3-yl)pyrazole-3-carboxamide

C12H15F2N5O2 — CID 136531898

IUPAC5-(difluoromethoxy)-1-methyl-N-(2,4,5-trimethylpyrazol-3-yl)pyrazole-3-carboxamide
SMILESCc1nn(C)c(NC(=O)c2cc(OC(F)F)n(C)n2)c1C
InChIInChI=1S/C12H15F2N5O2/c1-6-7(2)16-19(4)10(6)15-11(20)8-5-9(18(3)17-8)21-12(13)14/h5,12H,1-4H3,(H,15,20)
InChIKeyNEUUNEWGSNQFCJ-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.62
Rot. Bonds4

About 5-(difluoromethoxy)-1-methyl-N-(2,4,5-trimethylpyrazol-3-yl)pyrazole-3-carboxamide

5-(difluoromethoxy)-1-methyl-N-(2,4,5-trimethylpyrazol-3-yl)pyrazole-3-carboxamide (PubChem CID 136531898) has the molecular formula C12H15F2N5O2 and a molecular weight of 299.28 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-methyl-N-(2,4,5-trimethylpyrazol-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-methyl-N-(2,4,5-trimethylpyrazol-3-yl)pyrazole-3-carboxamide
PubChem CID136531898
Molecular FormulaC12H15F2N5O2
Molecular Weight299.28 g/mol
Exact Mass299.12
IUPAC Name5-(difluoromethoxy)-1-methyl-N-(2,4,5-trimethylpyrazol-3-yl)pyrazole-3-carboxamide
SMILESCc1nn(C)c(NC(=O)c2cc(OC(F)F)n(C)n2)c1C
InChIInChI=1S/C12H15F2N5O2/c1-6-7(2)16-19(4)10(6)15-11(20)8-5-9(18(3)17-8)21-12(13)14/h5,12H,1-4H3,(H,15,20)
InChIKeyNEUUNEWGSNQFCJ-UHFFFAOYSA-N
XLogP1.62
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-methyl-N-(2,4,5-trimethylpyrazol-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethoxy)-1-methyl-N-(2,4,5-trimethylpyrazol-3-yl)pyrazole-3-carboxamide (CID 136531898) is 5-(difluoromethoxy)-1-methyl-N-(2,4,5-trimethylpyrazol-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethoxy)-1-methyl-N-(2,4,5-trimethylpyrazol-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethoxy)-1-methyl-N-(2,4,5-trimethylpyrazol-3-yl)pyrazole-3-carboxamide is Cc1nn(C)c(NC(=O)c2cc(OC(F)F)n(C)n2)c1C.
What is the InChIKey of 5-(difluoromethoxy)-1-methyl-N-(2,4,5-trimethylpyrazol-3-yl)pyrazole-3-carboxamide?
The InChIKey is NEUUNEWGSNQFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O2/c1-6-7(2)16-19(4)10(6)15-11(20)8-5-9(18(3)17-8)21-12(13)14/h5,12H,1-4H3,(H,15,20).
What are the key properties of 5-(difluoromethoxy)-1-methyl-N-(2,4,5-trimethylpyrazol-3-yl)pyrazole-3-carboxamide?
5-(difluoromethoxy)-1-methyl-N-(2,4,5-trimethylpyrazol-3-yl)pyrazole-3-carboxamide has a molecular weight of 299.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1-methyl-N-(2,4,5-trimethylpyrazol-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 136531898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).