N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

C20H19FN4O2 — CID 17438304

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN4O2/c1-12-4-3-5-13(2)18(12)24-17(26)11-22-20(27)16-10-23-25-19(16)14-6-8-15(21)9-7-14/h3-10H,11H2,1-2H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeySQYOLUXKMJKENC-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.20
Rot. Bonds5

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 17438304) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID17438304
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN4O2/c1-12-4-3-5-13(2)18(12)24-17(26)11-22-20(27)16-10-23-25-19(16)14-6-8-15(21)9-7-14/h3-10H,11H2,1-2H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeySQYOLUXKMJKENC-UHFFFAOYSA-N
XLogP3.20
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-pyrazole-4-carboxamide
CID 17429031
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
5-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824609
5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 53490374
5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17487935
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 24638552
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 24681997
5-(4-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)-1H-pyrazole-4-carboxamide
CID 111102820
N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)carbamothioylamino]acetamide
CID 8790825
4-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 27760701
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 17472251

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 17438304) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is Cc1cccc(C)c1NC(=O)CNC(=O)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is SQYOLUXKMJKENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-12-4-3-5-13(2)18(12)24-17(26)11-22-20(27)16-10-23-25-19(16)14-6-8-15(21)9-7-14/h3-10H,11H2,1-2H3,(H,22,27)(H,23,25)(H,24,26).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 17438304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).