N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide

C20H19FN4O2 — CID 110309443

IUPACN-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCNC(=O)c2ccccc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN4O2/c1-25-18(14-7-9-16(21)10-8-14)13-17(24-25)20(27)23-12-11-22-19(26)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,22,26)(H,23,27)
InChIKeyVIZPCWJYUCAILQ-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.39
Rot. Bonds6

About N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide

N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 110309443) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
PubChem CID110309443
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCNC(=O)c2ccccc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN4O2/c1-25-18(14-7-9-16(21)10-8-14)13-17(24-25)20(27)23-12-11-22-19(26)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,22,26)(H,23,27)
InChIKeyVIZPCWJYUCAILQ-UHFFFAOYSA-N
XLogP2.39
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110356838
5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 46105017
N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336121
5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide
CID 110311220
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110615628
N-[3-(2-methoxyphenyl)propyl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 77083429
1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
CID 110357214
N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110299551
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336233
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110302080
N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110299582
5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 110299569

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide (CID 110309443) is N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NCCNC(=O)c2ccccc2)cc1-c1ccc(F)cc1.
What is the InChIKey of N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is VIZPCWJYUCAILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-25-18(14-7-9-16(21)10-8-14)13-17(24-25)20(27)23-12-11-22-19(26)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide?
N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110309443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).