N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C22H20F2N4O3 — CID 154850299

IUPACN-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)CC1=O
InChIInChI=1S/C22H20F2N4O3/c1-2-31-19-6-4-3-5-18(19)28-12-14(9-21(28)29)22(30)25-20-11-17(26-27-20)13-7-15(23)10-16(24)8-13/h3-8,10-11,14H,2,9,12H2,1H3,(H2,25,26,27,30)
InChIKeyQMZYXRRJCCZGDM-UHFFFAOYSA-N
MW426.42 g/mol
LogP3.75
Rot. Bonds6

About N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 154850299) has the molecular formula C22H20F2N4O3 and a molecular weight of 426.42 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID154850299
Molecular FormulaC22H20F2N4O3
Molecular Weight426.42 g/mol
Exact Mass426.15
IUPAC NameN-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)CC1=O
InChIInChI=1S/C22H20F2N4O3/c1-2-31-19-6-4-3-5-18(19)28-12-14(9-21(28)29)22(30)25-20-11-17(26-27-20)13-7-15(23)10-16(24)8-13/h3-8,10-11,14H,2,9,12H2,1H3,(H2,25,26,27,30)
InChIKeyQMZYXRRJCCZGDM-UHFFFAOYSA-N
XLogP3.75
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[(3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazole-5-carboxylate
CID 97259978
(3R)-N-(2,5-difluorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40942309
1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904798
(3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 32838691
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
(3R)-1-(2-ethoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26087224
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
1-(2-ethoxyphenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886195
N-(3-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886180
(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 30182120
1-(2,4-difluorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55618657
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 154850299) is N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1CC(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)CC1=O.
What is the InChIKey of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QMZYXRRJCCZGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O3/c1-2-31-19-6-4-3-5-18(19)28-12-14(9-21(28)29)22(30)25-20-11-17(26-27-20)13-7-15(23)10-16(24)8-13/h3-8,10-11,14H,2,9,12H2,1H3,(H2,25,26,27,30).
What are the key properties of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 426.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 154850299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).