N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide

C20H19FN4O2 — CID 87025581

IUPACN-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)n(C)n1
InChIInChI=1S/C20H19FN4O2/c1-13-11-18(25(2)24-13)20(27)23-16-9-7-14(8-10-16)19(26)22-12-15-5-3-4-6-17(15)21/h3-11H,12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyMDAGDJZTLPGSMV-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.05
Rot. Bonds5

About N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide

N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 87025581) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID87025581
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)n(C)n1
InChIInChI=1S/C20H19FN4O2/c1-13-11-18(25(2)24-13)20(27)23-16-9-7-14(8-10-16)19(26)22-12-15-5-3-4-6-17(15)21/h3-11H,12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyMDAGDJZTLPGSMV-UHFFFAOYSA-N
XLogP3.05
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 46327515
N-[(2-fluorophenyl)methyl]-4-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119718423
N-[(2-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]benzamide
CID 55793795
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 146264146
N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685894
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 78890736
methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate
CID 47064166
N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024230
4-N-(4-fluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046825
4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047191

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide (CID 87025581) is N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)n(C)n1.
What is the InChIKey of N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is MDAGDJZTLPGSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-13-11-18(25(2)24-13)20(27)23-16-9-7-14(8-10-16)19(26)22-12-15-5-3-4-6-17(15)21/h3-11H,12H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 87025581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).