N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide

C23H18FN5O3 — CID 18674147

IUPACN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H18FN5O3/c1-28-23(26-20(30)14-15-3-2-4-19(13-15)29(31)32)21(16-9-11-25-12-10-16)22(27-28)17-5-7-18(24)8-6-17/h2-13H,14H2,1H3,(H,26,30)
InChIKeyMBWOFPYGRBTGCL-UHFFFAOYSA-N
MW431.43 g/mol
LogP4.38
Rot. Bonds6

About N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide

N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide (PubChem CID 18674147) has the molecular formula C23H18FN5O3 and a molecular weight of 431.43 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide
PubChem CID18674147
Molecular FormulaC23H18FN5O3
Molecular Weight431.43 g/mol
Exact Mass431.14
IUPAC NameN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H18FN5O3/c1-28-23(26-20(30)14-15-3-2-4-19(13-15)29(31)32)21(16-9-11-25-12-10-16)22(27-28)17-5-7-18(24)8-6-17/h2-13H,14H2,1H3,(H,26,30)
InChIKeyMBWOFPYGRBTGCL-UHFFFAOYSA-N
XLogP4.38
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 54.38
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

N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 18674002
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18673983
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(1H-indol-3-yl)acetamide
CID 18674145
bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(4-fluorophenyl)-1-propyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674209
2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 75422980
N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide
CID 18674028
2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674061
2-chloro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methylphenyl)acetamide
CID 18674041
N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide
CID 112695684
N-(2-amino-5-fluorophenyl)-2-(3-nitrophenyl)acetamide
CID 115736626
N-(4-fluorophenyl)-2-[2-(3-nitroanilino)-2-oxoethyl]sulfanylacetamide
CID 26561688
N-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide
CID 102989201

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide (CID 18674147) is N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide is Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide?
The InChIKey is MBWOFPYGRBTGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O3/c1-28-23(26-20(30)14-15-3-2-4-19(13-15)29(31)32)21(16-9-11-25-12-10-16)22(27-28)17-5-7-18(24)8-6-17/h2-13H,14H2,1H3,(H,26,30).
What are the key properties of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide?
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide has a molecular weight of 431.43 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 18674147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).