N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

C20H18F2N4O2 — CID 38827016

IUPACN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1F
InChIInChI=1S/C20H18F2N4O2/c1-13-2-3-14(12-17(13)22)19(27)23-9-10-24-20(28)18-8-11-26(25-18)16-6-4-15(21)5-7-16/h2-8,11-12H,9-10H2,1H3,(H,23,27)(H,24,28)
InChIKeyAMMSMOPUIMIQLY-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.62
Rot. Bonds6

About N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 38827016) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID38827016
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1F
InChIInChI=1S/C20H18F2N4O2/c1-13-2-3-14(12-17(13)22)19(27)23-9-10-24-20(28)18-8-11-26(25-18)16-6-4-15(21)5-7-16/h2-8,11-12H,9-10H2,1H3,(H,23,27)(H,24,28)
InChIKeyAMMSMOPUIMIQLY-UHFFFAOYSA-N
XLogP2.62
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38047231
N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 55650471
N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33321847
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38825065
3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide
CID 110888781
1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide
CID 111662239
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 38815516
3-fluoro-N-[2-[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-methylbenzamide
CID 111231617
1-(4-fluorophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazole-3-carboxamide
CID 39515050
N-[2-[(3-bromobenzoyl)amino]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 60614966

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 38827016) is N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide is Cc1ccc(C(=O)NCCNC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1F.
What is the InChIKey of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is AMMSMOPUIMIQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-13-2-3-14(12-17(13)22)19(27)23-9-10-24-20(28)18-8-11-26(25-18)16-6-4-15(21)5-7-16/h2-8,11-12H,9-10H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 38827016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).