N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide

C24H18F2N4O2 — CID 112833610

IUPACN-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
SMILESCc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2cc(C(N)=O)ccc2F)c1
InChIInChI=1S/C24H18F2N4O2/c1-14-3-2-4-15(11-14)22-19(13-30(29-22)18-8-6-17(25)7-9-18)24(32)28-21-12-16(23(27)31)5-10-20(21)26/h2-13H,1H3,(H2,27,31)(H,28,32)
InChIKeyIKGDIIOVKRCKBX-UHFFFAOYSA-N
MW432.43 g/mol
LogP4.48
Rot. Bonds5

About N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide

N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide (PubChem CID 112833610) has the molecular formula C24H18F2N4O2 and a molecular weight of 432.43 g/mol. Its IUPAC name is N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
PubChem CID112833610
Molecular FormulaC24H18F2N4O2
Molecular Weight432.43 g/mol
Exact Mass432.14
IUPAC NameN-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
SMILESCc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2cc(C(N)=O)ccc2F)c1
InChIInChI=1S/C24H18F2N4O2/c1-14-3-2-4-15(11-14)22-19(13-30(29-22)18-8-6-17(25)7-9-18)24(32)28-21-12-16(23(27)31)5-10-20(21)26/h2-13H,1H3,(H2,27,31)(H,28,32)
InChIKeyIKGDIIOVKRCKBX-UHFFFAOYSA-N
XLogP4.48
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 55670188
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide
CID 146154633
N-[3-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 46518005
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
CID 30866504
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 24681997
[2-(carbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxylate
CID 7800945
N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 136577209
propan-2-yl 2-[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 56543733
N-[2-(benzylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 55676157
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide
CID 40795701
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 46593839
N-(5-fluoro-2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7777734

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide (CID 112833610) is N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide is Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2cc(C(N)=O)ccc2F)c1.
What is the InChIKey of N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is IKGDIIOVKRCKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O2/c1-14-3-2-4-15(11-14)22-19(13-30(29-22)18-8-6-17(25)7-9-18)24(32)28-21-12-16(23(27)31)5-10-20(21)26/h2-13H,1H3,(H2,27,31)(H,28,32).
What are the key properties of N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide?
N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 432.43 g/mol, XLogP of 4.48, 5 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)-3-(3-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 112833610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).