2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide

C12H15F2N5O — CID 19346134

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)cc1NC(=O)Cn1nc(C(F)F)cc1C
InChIInChI=1S/C12H15F2N5O/c1-7-4-9(12(13)14)17-19(7)6-11(20)15-10-5-18(3)16-8(10)2/h4-5,12H,6H2,1-3H3,(H,15,20)
InChIKeyRCUQEFGBSSNTTB-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.81
Rot. Bonds4

About 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide (PubChem CID 19346134) has the molecular formula C12H15F2N5O and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
PubChem CID19346134
Molecular FormulaC12H15F2N5O
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)cc1NC(=O)Cn1nc(C(F)F)cc1C
InChIInChI=1S/C12H15F2N5O/c1-7-4-9(12(13)14)17-19(7)6-11(20)15-10-5-18(3)16-8(10)2/h4-5,12H,6H2,1-3H3,(H,15,20)
InChIKeyRCUQEFGBSSNTTB-UHFFFAOYSA-N
XLogP1.81
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide (CID 19346134) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide is Cc1nn(C)cc1NC(=O)Cn1nc(C(F)F)cc1C.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The InChIKey is RCUQEFGBSSNTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O/c1-7-4-9(12(13)14)17-19(7)6-11(20)15-10-5-18(3)16-8(10)2/h4-5,12H,6H2,1-3H3,(H,15,20).
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide has a molecular weight of 283.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 19346134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).