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

C11H17F2N3O — CID 19516578

IUPACN-butan-2-yl-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
SMILESCCC(C)NC(=O)Cn1nc(C)cc1C(F)F
InChIInChI=1S/C11H17F2N3O/c1-4-7(2)14-10(17)6-16-9(11(12)13)5-8(3)15-16/h5,7,11H,4,6H2,1-3H3,(H,14,17)
InChIKeyJFLFWENOKBANHM-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.04
Rot. Bonds5

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

N-butan-2-yl-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide (PubChem CID 19516578) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is N-butan-2-yl-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
PubChem CID19516578
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC NameN-butan-2-yl-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
SMILESCCC(C)NC(=O)Cn1nc(C)cc1C(F)F
InChIInChI=1S/C11H17F2N3O/c1-4-7(2)14-10(17)6-16-9(11(12)13)5-8(3)15-16/h5,7,11H,4,6H2,1-3H3,(H,14,17)
InChIKeyJFLFWENOKBANHM-UHFFFAOYSA-N
XLogP2.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521887
N-(2,6-dichlorophenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516489
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 19516733
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
CID 19516533
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]butanoic acid
CID 43648238
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 19516555
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide
CID 19516753
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
CID 43648205
N-butan-2-yl-2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19503831
N-[4-(difluoromethoxy)-2-methylphenyl]-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516634
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1-(ethoxymethyl)pyrazol-4-yl]acetamide
CID 19516744

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide (CID 19516578) is N-butan-2-yl-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide is CCC(C)NC(=O)Cn1nc(C)cc1C(F)F.
What is the InChIKey of N-butan-2-yl-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide?
The InChIKey is JFLFWENOKBANHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-4-7(2)14-10(17)6-16-9(11(12)13)5-8(3)15-16/h5,7,11H,4,6H2,1-3H3,(H,14,17).
What are the key properties of N-butan-2-yl-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide?
N-butan-2-yl-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide has a molecular weight of 245.27 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide is sourced from PubChem (CID 19516578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).