2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide

C12H15F2N5O — CID 19330840

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)NCc1ccn(C)n1
InChIInChI=1S/C12H15F2N5O/c1-8-5-10(12(13)14)17-19(8)7-11(20)15-6-9-3-4-18(2)16-9/h3-5,12H,6-7H2,1-2H3,(H,15,20)
InChIKeyRXILMUYQXZBVDX-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.18
Rot. Bonds5

About 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide (PubChem CID 19330840) 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-methylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide
PubChem CID19330840
Molecular FormulaC12H15F2N5O
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)NCc1ccn(C)n1
InChIInChI=1S/C12H15F2N5O/c1-8-5-10(12(13)14)17-19(8)7-11(20)15-6-9-3-4-18(2)16-9/h3-5,12H,6-7H2,1-2H3,(H,15,20)
InChIKeyRXILMUYQXZBVDX-UHFFFAOYSA-N
XLogP1.18
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.18
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-methylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide (CID 19330840) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide is Cc1cc(C(F)F)nn1CC(=O)NCc1ccn(C)n1.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
The InChIKey is RXILMUYQXZBVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O/c1-8-5-10(12(13)14)17-19(8)7-11(20)15-6-9-3-4-18(2)16-9/h3-5,12H,6-7H2,1-2H3,(H,15,20).
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide has a molecular weight of 283.28 g/mol, XLogP of 1.18, 5 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-methylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 19330840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).