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

C15H14F2N4O3 — CID 4867079

IUPAC2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2-nitrophenyl)acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C1CC1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14F2N4O3/c16-15(17)11-7-13(9-5-6-9)20(19-11)8-14(22)18-10-3-1-2-4-12(10)21(23)24/h1-4,7,9,15H,5-6,8H2,(H,18,22)
InChIKeyABTVKAMFHXLNHI-UHFFFAOYSA-N
MW336.30 g/mol
LogP3.24
Rot. Bonds6

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

2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2-nitrophenyl)acetamide (PubChem CID 4867079) has the molecular formula C15H14F2N4O3 and a molecular weight of 336.30 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2-nitrophenyl)acetamide
PubChem CID4867079
Molecular FormulaC15H14F2N4O3
Molecular Weight336.30 g/mol
Exact Mass336.10
IUPAC Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2-nitrophenyl)acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C1CC1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14F2N4O3/c16-15(17)11-7-13(9-5-6-9)20(19-11)8-14(22)18-10-3-1-2-4-12(10)21(23)24/h1-4,7,9,15H,5-6,8H2,(H,18,22)
InChIKeyABTVKAMFHXLNHI-UHFFFAOYSA-N
XLogP3.24
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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-(2,3-dimethylphenyl)acetamide
CID 19520222
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)acetamide
CID 19520254
4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19520476
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
CID 19520484
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate
CID 7017067
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 19520264
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 19520265
2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide
CID 31480734
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 19517987
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 7663979
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19337689

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2-nitrophenyl)acetamide (CID 4867079) is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2-nitrophenyl)acetamide is O=C(Cn1nc(C(F)F)cc1C1CC1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2-nitrophenyl)acetamide?
The InChIKey is ABTVKAMFHXLNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O3/c16-15(17)11-7-13(9-5-6-9)20(19-11)8-14(22)18-10-3-1-2-4-12(10)21(23)24/h1-4,7,9,15H,5-6,8H2,(H,18,22).
What are the key properties of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2-nitrophenyl)acetamide?
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2-nitrophenyl)acetamide has a molecular weight of 336.30 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 4867079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).