(3R)-1-(3-chloro-4-methoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C18H21ClN4O3 — CID 97137942

IUPAC(3R)-1-(3-chloro-4-methoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCc3cnn(C)c3C)CC2=O)cc1Cl
InChIInChI=1S/C18H21ClN4O3/c1-11-13(9-21-22(11)2)8-20-18(25)12-6-17(24)23(10-12)14-4-5-16(26-3)15(19)7-14/h4-5,7,9,12H,6,8,10H2,1-3H3,(H,20,25)/t12-/m1/s1
InChIKeyCGFDFMRQJOYPRP-GFCCVEGCSA-N
MW376.84 g/mol
LogP2.06
Rot. Bonds5

About (3R)-1-(3-chloro-4-methoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(3-chloro-4-methoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97137942) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is (3R)-1-(3-chloro-4-methoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-chloro-4-methoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97137942
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name(3R)-1-(3-chloro-4-methoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCc3cnn(C)c3C)CC2=O)cc1Cl
InChIInChI=1S/C18H21ClN4O3/c1-11-13(9-21-22(11)2)8-20-18(25)12-6-17(24)23(10-12)14-4-5-16(26-3)15(19)7-14/h4-5,7,9,12H,6,8,10H2,1-3H3,(H,20,25)/t12-/m1/s1
InChIKeyCGFDFMRQJOYPRP-GFCCVEGCSA-N
XLogP2.06
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187995
(3R)-1-(3-chloro-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7325501
(3R)-1-(3-chloro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 97137882
1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 72910185
1-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55583210
1-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46586700
N-butan-2-yl-1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187980
(3S)-1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 97124745
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187460
methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9351959
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 131920666
(3S)-1-(3-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 29094847

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chloro-4-methoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-chloro-4-methoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 97137942) is (3R)-1-(3-chloro-4-methoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-chloro-4-methoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-chloro-4-methoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2C[C@H](C(=O)NCc3cnn(C)c3C)CC2=O)cc1Cl.
What is the InChIKey of (3R)-1-(3-chloro-4-methoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CGFDFMRQJOYPRP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-11-13(9-21-22(11)2)8-20-18(25)12-6-17(24)23(10-12)14-4-5-16(26-3)15(19)7-14/h4-5,7,9,12H,6,8,10H2,1-3H3,(H,20,25)/t12-/m1/s1.
What are the key properties of (3R)-1-(3-chloro-4-methoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(3-chloro-4-methoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chloro-4-methoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97137942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).