N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

C18H14F2N4O2 — CID 136577209

IUPACN-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(C(N)=O)ccc2F)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H14F2N4O2/c1-10-14(9-22-24(10)13-5-3-12(19)4-6-13)18(26)23-16-8-11(17(21)25)2-7-15(16)20/h2-9H,1H3,(H2,21,25)(H,23,26)
InChIKeyQTSNLRRPLDVHFP-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.81
Rot. Bonds4

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

N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 136577209) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID136577209
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC NameN-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(C(N)=O)ccc2F)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H14F2N4O2/c1-10-14(9-22-24(10)13-5-3-12(19)4-6-13)18(26)23-16-8-11(17(21)25)2-7-15(16)20/h2-9H,1H3,(H2,21,25)(H,23,26)
InChIKeyQTSNLRRPLDVHFP-UHFFFAOYSA-N
XLogP2.81
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46583862
N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32637806
N-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 1225270
N-(2,5-difluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 24825171
1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
CID 31814622
N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 112833610
N-[4-(diethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39694099
1-(4-fluorophenyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 45255298
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119627135
1-(4-fluorophenyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 37079580
1-(4-carbamoylphenyl)-5-methylpyrazole-4-carbonyl chloride
CID 121003901
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 47438698

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 136577209) is N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cc(C(N)=O)ccc2F)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is QTSNLRRPLDVHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c1-10-14(9-22-24(10)13-5-3-12(19)4-6-13)18(26)23-16-8-11(17(21)25)2-7-15(16)20/h2-9H,1H3,(H2,21,25)(H,23,26).
What are the key properties of N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 356.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 136577209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).