ethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate

C20H18F2N4O3 — CID 86948177

IUPACethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)c2cn(C)nc2-c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H18F2N4O3/c1-3-29-20(28)24-14-7-5-13(6-8-14)23-19(27)16-11-26(2)25-18(16)15-9-4-12(21)10-17(15)22/h4-11H,3H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyNZXPHIBKVGEEOA-UHFFFAOYSA-N
MW400.39 g/mol
LogP4.19
Rot. Bonds5

About ethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate

ethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate (PubChem CID 86948177) has the molecular formula C20H18F2N4O3 and a molecular weight of 400.39 g/mol. Its IUPAC name is ethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate
PubChem CID86948177
Molecular FormulaC20H18F2N4O3
Molecular Weight400.39 g/mol
Exact Mass400.13
IUPAC Nameethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)c2cn(C)nc2-c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H18F2N4O3/c1-3-29-20(28)24-14-7-5-13(6-8-14)23-19(27)16-11-26(2)25-18(16)15-9-4-12(21)10-17(15)22/h4-11H,3H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyNZXPHIBKVGEEOA-UHFFFAOYSA-N
XLogP4.19
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[4-[[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]methyl]phenyl]carbamate
CID 86948179
3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide
CID 86947975
N-[2-(4-bromoanilino)-2-oxoethyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86948212
N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86956500
3-(2,4-difluorophenyl)-1-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrazole-4-carboxamide
CID 86948264
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86964000
3-(2,4-difluorophenyl)-1-methyl-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 86948325
3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
CID 86948216
3-(2,4-difluorophenyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 86949234
N'-(4-bromobenzoyl)-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbohydrazide
CID 86947969
3-(2,4-difluorophenyl)-1-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrazole-4-carboxamide
CID 86963401
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate (CID 86948177) is ethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC(=O)c2cn(C)nc2-c2ccc(F)cc2F)cc1.
What is the InChIKey of ethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate?
The InChIKey is NZXPHIBKVGEEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3/c1-3-29-20(28)24-14-7-5-13(6-8-14)23-19(27)16-11-26(2)25-18(16)15-9-4-12(21)10-17(15)22/h4-11H,3H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of ethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate?
ethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate has a molecular weight of 400.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate is sourced from PubChem (CID 86948177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).