1-[(2,4-difluorophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide

C17H12F2N4O4 — CID 19279998

IUPAC1-[(2,4-difluorophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1ccn(COc2ccc(F)cc2F)n1
InChIInChI=1S/C17H12F2N4O4/c18-11-5-6-16(12(19)9-11)27-10-22-8-7-14(21-22)17(24)20-13-3-1-2-4-15(13)23(25)26/h1-9H,10H2,(H,20,24)
InChIKeyBYCDDGWVOGJNQZ-UHFFFAOYSA-N
MW374.30 g/mol
LogP3.36
Rot. Bonds6

About 1-[(2,4-difluorophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide

1-[(2,4-difluorophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide (PubChem CID 19279998) has the molecular formula C17H12F2N4O4 and a molecular weight of 374.30 g/mol. Its IUPAC name is 1-[(2,4-difluorophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide
PubChem CID19279998
Molecular FormulaC17H12F2N4O4
Molecular Weight374.30 g/mol
Exact Mass374.08
IUPAC Name1-[(2,4-difluorophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1ccn(COc2ccc(F)cc2F)n1
InChIInChI=1S/C17H12F2N4O4/c18-11-5-6-16(12(19)9-11)27-10-22-8-7-14(21-22)17(24)20-13-3-1-2-4-15(13)23(25)26/h1-9H,10H2,(H,20,24)
InChIKeyBYCDDGWVOGJNQZ-UHFFFAOYSA-N
XLogP3.36
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 53.36
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

1-[(5-fluoro-2-nitrophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide
CID 19280590
1-[(2-nitrophenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide
CID 19273935
1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide
CID 19618706
N-(2,4-dimethylphenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 4776757
N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19279984
N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19581536
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 19392669
1-[(2-nitrophenoxy)methyl]-N-(4-nitrophenyl)pyrazole-3-carboxamide
CID 19273936
N-(1-ethyl-5-methylpyrazol-4-yl)-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 19276936
N-(3-hydroxyphenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 19279547
N-(4-ethoxy-2-nitrophenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269304
1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 4774958

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(2,4-difluorophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide (CID 19279998) is 1-[(2,4-difluorophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,4-difluorophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,4-difluorophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide is O=C(Nc1ccccc1[N+](=O)[O-])c1ccn(COc2ccc(F)cc2F)n1.
What is the InChIKey of 1-[(2,4-difluorophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide?
The InChIKey is BYCDDGWVOGJNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O4/c18-11-5-6-16(12(19)9-11)27-10-22-8-7-14(21-22)17(24)20-13-3-1-2-4-15(13)23(25)26/h1-9H,10H2,(H,20,24).
What are the key properties of 1-[(2,4-difluorophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide?
1-[(2,4-difluorophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide has a molecular weight of 374.30 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19279998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).