1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide

C24H23FN6O5 — CID 19280585

IUPAC1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide
SMILESCOc1cccc(Cn2nc(C)c(NC(=O)c3ccn(COc4cc(F)ccc4[N+](=O)[O-])n3)c2C)c1
InChIInChI=1S/C24H23FN6O5/c1-15-23(16(2)30(27-15)13-17-5-4-6-19(11-17)35-3)26-24(32)20-9-10-29(28-20)14-36-22-12-18(25)7-8-21(22)31(33)34/h4-12H,13-14H2,1-3H3,(H,26,32)
InChIKeyGDGHYQFKGIIMHE-UHFFFAOYSA-N
MW494.48 g/mol
LogP4.09
Rot. Bonds9

About 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide

1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19280585) has the molecular formula C24H23FN6O5 and a molecular weight of 494.48 g/mol. Its IUPAC name is 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID19280585
Molecular FormulaC24H23FN6O5
Molecular Weight494.48 g/mol
Exact Mass494.17
IUPAC Name1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide
SMILESCOc1cccc(Cn2nc(C)c(NC(=O)c3ccn(COc4cc(F)ccc4[N+](=O)[O-])n3)c2C)c1
InChIInChI=1S/C24H23FN6O5/c1-15-23(16(2)30(27-15)13-17-5-4-6-19(11-17)35-3)26-24(32)20-9-10-29(28-20)14-36-22-12-18(25)7-8-21(22)31(33)34/h4-12H,13-14H2,1-3H3,(H,26,32)
InChIKeyGDGHYQFKGIIMHE-UHFFFAOYSA-N
XLogP4.09
TPSA126.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-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

1-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide
CID 19265220
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 19338090
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 19273946
1-[(2,4-dichlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide
CID 19405876
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 19276901
N-(1-ethyl-5-methylpyrazol-4-yl)-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 19276936
1-[(5-fluoro-2-nitrophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide
CID 19280590
4-fluoro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19408479
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 19276980
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19277222
1-[(5-fluoro-2-nitrophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide
CID 19280550
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-nitrobenzamide
CID 19408481

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide (CID 19280585) is 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide is COc1cccc(Cn2nc(C)c(NC(=O)c3ccn(COc4cc(F)ccc4[N+](=O)[O-])n3)c2C)c1.
What is the InChIKey of 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is GDGHYQFKGIIMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O5/c1-15-23(16(2)30(27-15)13-17-5-4-6-19(11-17)35-3)26-24(32)20-9-10-29(28-20)14-36-22-12-18(25)7-8-21(22)31(33)34/h4-12H,13-14H2,1-3H3,(H,26,32).
What are the key properties of 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide?
1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 494.48 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19280585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).