2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide

C17H19F2N3O — CID 19520222

IUPAC2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc(C(F)F)cc2C2CC2)c1C
InChIInChI=1S/C17H19F2N3O/c1-10-4-3-5-13(11(10)2)20-16(23)9-22-15(12-6-7-12)8-14(21-22)17(18)19/h3-5,8,12,17H,6-7,9H2,1-2H3,(H,20,23)
InChIKeyDRWIAYZYJKEALM-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.95
Rot. Bonds5

About 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide

2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 19520222) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID19520222
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc(C(F)F)cc2C2CC2)c1C
InChIInChI=1S/C17H19F2N3O/c1-10-4-3-5-13(11(10)2)20-16(23)9-22-15(12-6-7-12)8-14(21-22)17(18)19/h3-5,8,12,17H,6-7,9H2,1-2H3,(H,20,23)
InChIKeyDRWIAYZYJKEALM-UHFFFAOYSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)acetamide
CID 19520254
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2-nitrophenyl)acetamide
CID 4867079
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 19520273
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19337689
4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19520476
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19339215
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 19520264
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19402048
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate
CID 7017067
N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide
CID 171327633
4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398159
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 19520940

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide (CID 19520222) is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)Cn2nc(C(F)F)cc2C2CC2)c1C.
What is the InChIKey of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is DRWIAYZYJKEALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-10-4-3-5-13(11(10)2)20-16(23)9-22-15(12-6-7-12)8-14(21-22)17(18)19/h3-5,8,12,17H,6-7,9H2,1-2H3,(H,20,23).
What are the key properties of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide?
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 319.36 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 19520222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).