1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H24N4O2 — CID 51266510

IUPAC1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)N(C)Cc2cnn(C)c2)CC1=O
InChIInChI=1S/C19H24N4O2/c1-4-15-7-5-6-8-17(15)23-13-16(9-18(23)24)19(25)21(2)11-14-10-20-22(3)12-14/h5-8,10,12,16H,4,9,11,13H2,1-3H3
InChIKeyFAOXHKVIPAHVEY-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.99
Rot. Bonds5

About 1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 51266510) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID51266510
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)N(C)Cc2cnn(C)c2)CC1=O
InChIInChI=1S/C19H24N4O2/c1-4-15-7-5-6-8-17(15)23-13-16(9-18(23)24)19(25)21(2)11-14-10-20-22(3)12-14/h5-8,10,12,16H,4,9,11,13H2,1-3H3
InChIKeyFAOXHKVIPAHVEY-UHFFFAOYSA-N
XLogP1.99
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51266491
(3R)-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 94099738
(3S)-1-(2-ethylphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 8967033
(3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 94097512
(3S)-1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 9449928
1-(2-butan-2-ylphenyl)-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770732
2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid
CID 119198514
1-(2-bromophenyl)-N-[(2-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42952625
N-[(2-bromophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55360083
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42896459
N-butyl-N-ethyl-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120415
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 31846735

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 51266510) is 1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1N1CC(C(=O)N(C)Cc2cnn(C)c2)CC1=O.
What is the InChIKey of 1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FAOXHKVIPAHVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-4-15-7-5-6-8-17(15)23-13-16(9-18(23)24)19(25)21(2)11-14-10-20-22(3)12-14/h5-8,10,12,16H,4,9,11,13H2,1-3H3.
What are the key properties of 1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51266510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).