5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide

C19H17FN4O3 — CID 110311220

IUPAC5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O3/c1-23-18(14-4-6-15(20)7-5-14)12-17(22-23)19(25)21-11-10-13-2-8-16(9-3-13)24(26)27/h2-9,12H,10-11H2,1H3,(H,21,25)
InChIKeyKSESKSDOMFKCNS-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.11
Rot. Bonds6

About 5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide

5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide (PubChem CID 110311220) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide
PubChem CID110311220
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O3/c1-23-18(14-4-6-15(20)7-5-14)12-17(22-23)19(25)21-11-10-13-2-8-16(9-3-13)24(26)27/h2-9,12H,10-11H2,1H3,(H,21,25)
InChIKeyKSESKSDOMFKCNS-UHFFFAOYSA-N
XLogP3.11
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110615628
N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110356838
N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110309443
5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 46105017
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110307168
5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336374
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9210501
N-[2-(4-fluorophenyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide
CID 9402533
3-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 42758410
N-ethyl-1-(4-nitrophenyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-3-carboxamide
CID 67617147
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1-(3-nitrophenyl)triazole-4-carboxamide
CID 31758167
1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
CID 110357214

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide (CID 110311220) is 5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide is Cn1nc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide?
The InChIKey is KSESKSDOMFKCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-23-18(14-4-6-15(20)7-5-14)12-17(22-23)19(25)21-11-10-13-2-8-16(9-3-13)24(26)27/h2-9,12H,10-11H2,1H3,(H,21,25).
What are the key properties of 5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide?
5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 110311220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).