N,N-diethyl-5-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide

C27H31N5O4 — CID 108801275

IUPACN,N-diethyl-5-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)C1CC(=O)N(c2cc(C)ccc2OC)C1
InChIInChI=1S/C27H31N5O4/c1-5-30(6-2)27(35)21-16-28-32(20-10-8-7-9-11-20)25(21)29-26(34)19-15-24(33)31(17-19)22-14-18(3)12-13-23(22)36-4/h7-14,16,19H,5-6,15,17H2,1-4H3,(H,29,34)
InChIKeyHREQFXHENULGPH-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.66
Rot. Bonds8

About N,N-diethyl-5-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide

N,N-diethyl-5-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide (PubChem CID 108801275) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is N,N-diethyl-5-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide
PubChem CID108801275
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC NameN,N-diethyl-5-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)C1CC(=O)N(c2cc(C)ccc2OC)C1
InChIInChI=1S/C27H31N5O4/c1-5-30(6-2)27(35)21-16-28-32(20-10-8-7-9-11-20)25(21)29-26(34)19-15-24(33)31(17-19)22-14-18(3)12-13-23(22)36-4/h7-14,16,19H,5-6,15,17H2,1-4H3,(H,29,34)
InChIKeyHREQFXHENULGPH-UHFFFAOYSA-N
XLogP3.66
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-5-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide
CID 108746115
ethyl 5-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 108738675
(3S)-1-(2-methoxy-5-methylphenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94179751
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 40991014
1-(2-methoxy-5-methylphenyl)-N-[2-(N-methylanilino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55447438
1-(2-methoxy-5-methylphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 55765863
N-(2,6-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188236
(3R)-N-(5-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41025414
1-(2-methoxy-5-methylphenyl)-5-oxo-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide
CID 55388331
N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78823927
1-(2-methoxy-5-methylphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119501870
2-[3-[[(3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 125132512

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N,N-diethyl-5-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide (CID 108801275) is N,N-diethyl-5-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-5-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-5-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide is CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)C1CC(=O)N(c2cc(C)ccc2OC)C1.
What is the InChIKey of N,N-diethyl-5-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is HREQFXHENULGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-5-30(6-2)27(35)21-16-28-32(20-10-8-7-9-11-20)25(21)29-26(34)19-15-24(33)31(17-19)22-14-18(3)12-13-23(22)36-4/h7-14,16,19H,5-6,15,17H2,1-4H3,(H,29,34).
What are the key properties of N,N-diethyl-5-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide?
N,N-diethyl-5-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 489.58 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 108801275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).