2-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide

C12H10F2N4O4 — CID 19506795

IUPAC2-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1ccnn1C(F)F
InChIInChI=1S/C12H10F2N4O4/c1-22-10-6-7(18(20)21)2-3-8(10)16-11(19)9-4-5-15-17(9)12(13)14/h2-6,12H,1H3,(H,16,19)
InChIKeyAXFJKTBKLCMHCB-UHFFFAOYSA-N
MW312.23 g/mol
LogP2.45
Rot. Bonds5

About 2-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide

2-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide (PubChem CID 19506795) has the molecular formula C12H10F2N4O4 and a molecular weight of 312.23 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide
PubChem CID19506795
Molecular FormulaC12H10F2N4O4
Molecular Weight312.23 g/mol
Exact Mass312.07
IUPAC Name2-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1ccnn1C(F)F
InChIInChI=1S/C12H10F2N4O4/c1-22-10-6-7(18(20)21)2-3-8(10)16-11(19)9-4-5-15-17(9)12(13)14/h2-6,12H,1H3,(H,16,19)
InChIKeyAXFJKTBKLCMHCB-UHFFFAOYSA-N
XLogP2.45
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(difluoromethyl)-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide
CID 17023033
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-carboxamide
CID 19281013
1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723
4-iodo-N-(2-methoxy-4-nitrophenyl)-1-methylpyrazole-3-carboxamide
CID 19261946
2-fluoro-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2885825
4-bromo-N-(2-methoxy-4-nitrophenyl)benzamide
CID 5234028
N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224349
N-(2-methoxy-4-nitrophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028198
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide
CID 157051605
3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2915297

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide (CID 19506795) is 2-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccnn1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide?
The InChIKey is AXFJKTBKLCMHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O4/c1-22-10-6-7(18(20)21)2-3-8(10)16-11(19)9-4-5-15-17(9)12(13)14/h2-6,12H,1H3,(H,16,19).
What are the key properties of 2-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide?
2-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide has a molecular weight of 312.23 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19506795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).