3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

C12H9F3N4O4 — CID 19510890

IUPAC3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1n[nH]c(C(=O)Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C12H9F3N4O4/c1-23-11-9(19(21)22)8(17-18-11)10(20)16-7-5-3-2-4-6(7)12(13,14)15/h2-5H,1H3,(H,16,20)(H,17,18)
InChIKeyDWXPJGPLGKFVRY-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.60
Rot. Bonds4

About 3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 19510890) has the molecular formula C12H9F3N4O4 and a molecular weight of 330.22 g/mol. Its IUPAC name is 3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID19510890
Molecular FormulaC12H9F3N4O4
Molecular Weight330.22 g/mol
Exact Mass330.06
IUPAC Name3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1n[nH]c(C(=O)Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C12H9F3N4O4/c1-23-11-9(19(21)22)8(17-18-11)10(20)16-7-5-3-2-4-6(7)12(13,14)15/h2-5H,1H3,(H,16,20)(H,17,18)
InChIKeyDWXPJGPLGKFVRY-UHFFFAOYSA-N
XLogP2.60
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.60
H-Bond Donors ≤ 52
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'}

Analyze 3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19510884
3-methoxy-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19511174
5-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 135413583
4-bromo-5-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 135829889
4-nitro-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 20864769
5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 19508083
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19511121
6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 90509411
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19510904
methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 108785392
1-[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 2955227
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19511054

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide (CID 19510890) is 3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide is COc1n[nH]c(C(=O)Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-].
What is the InChIKey of 3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is DWXPJGPLGKFVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O4/c1-23-11-9(19(21)22)8(17-18-11)10(20)16-7-5-3-2-4-6(7)12(13,14)15/h2-5H,1H3,(H,16,20)(H,17,18).
What are the key properties of 3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 330.22 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19510890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).