(3R,4S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride

C20H26ClN5O3 — CID 120930292

IUPAC(3R,4S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1cccc(N2CC(NC(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3)CC2=O)c1.Cl
InChIInChI=1S/C20H25N5O3.ClH/c1-24-11-13(8-22-24)17-9-21-10-18(17)20(27)23-14-6-19(26)25(12-14)15-4-3-5-16(7-15)28-2;/h3-5,7-8,11,14,17-18,21H,6,9-10,12H2,1-2H3,(H,23,27);1H/t14?,17-,18+;/m1./s1
InChIKeyMZUIOIKXGSVNOT-HXKFWYCDSA-N
MW419.91 g/mol
LogP1.08
Rot. Bonds5

About (3R,4S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride

(3R,4S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120930292) has the molecular formula C20H26ClN5O3 and a molecular weight of 419.91 g/mol. Its IUPAC name is (3R,4S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID120930292
Molecular FormulaC20H26ClN5O3
Molecular Weight419.91 g/mol
Exact Mass419.17
IUPAC Name(3R,4S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1cccc(N2CC(NC(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3)CC2=O)c1.Cl
InChIInChI=1S/C20H25N5O3.ClH/c1-24-11-13(8-22-24)17-9-21-10-18(17)20(27)23-14-6-19(26)25(12-14)15-4-3-5-16(7-15)28-2;/h3-5,7-8,11,14,17-18,21H,6,9-10,12H2,1-2H3,(H,23,27);1H/t14?,17-,18+;/m1./s1
InChIKeyMZUIOIKXGSVNOT-HXKFWYCDSA-N
XLogP1.08
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide
CID 120941945
(3R,4S)-N-cyclobutyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120924751
[4-(3-methoxyphenyl)piperidin-1-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
CID 120929672
(3R,4S)-N-(2-acetamido-5-methoxyphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120922496
4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
CID 7215126
ethyl 2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoacetate
CID 7548348
(3R,4S)-N-(1-cyclopropylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120940157
(3R,4S)-N-(2-ethoxy-5-methoxyphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120931055
(3R,4S)-N-(5-methoxy-2-propan-2-yloxyphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120931057
(3R,4S)-N-(3-methylcyclobutyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120933475

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3R,4S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 120930292) is (3R,4S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R,4S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R,4S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is COc1cccc(N2CC(NC(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3)CC2=O)c1.Cl.
What is the InChIKey of (3R,4S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is MZUIOIKXGSVNOT-HXKFWYCDSA-N. The full InChI is InChI=1S/C20H25N5O3.ClH/c1-24-11-13(8-22-24)17-9-21-10-18(17)20(27)23-14-6-19(26)25(12-14)15-4-3-5-16(7-15)28-2;/h3-5,7-8,11,14,17-18,21H,6,9-10,12H2,1-2H3,(H,23,27);1H/t14?,17-,18+;/m1./s1.
What are the key properties of (3R,4S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
(3R,4S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 419.91 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120930292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).