2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride

C17H22ClN5O2 — CID 120668675

IUPAC2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
SMILESCc1ccc(C(N)C(=O)NC2CCN(c3cnn(C)c3)C2=O)cc1.Cl
InChIInChI=1S/C17H21N5O2.ClH/c1-11-3-5-12(6-4-11)15(18)16(23)20-14-7-8-22(17(14)24)13-9-19-21(2)10-13;/h3-6,9-10,14-15H,7-8,18H2,1-2H3,(H,20,23);1H
InChIKeyQDUIANMGLWKYIS-UHFFFAOYSA-N
MW363.85 g/mol
LogP1.07
Rot. Bonds4

About 2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride

2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride (PubChem CID 120668675) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
PubChem CID120668675
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC Name2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
SMILESCc1ccc(C(N)C(=O)NC2CCN(c3cnn(C)c3)C2=O)cc1.Cl
InChIInChI=1S/C17H21N5O2.ClH/c1-11-3-5-12(6-4-11)15(18)16(23)20-14-7-8-22(17(14)24)13-9-19-21(2)10-13;/h3-6,9-10,14-15H,7-8,18H2,1-2H3,(H,20,23);1H
InChIKeyQDUIANMGLWKYIS-UHFFFAOYSA-N
XLogP1.07
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(4-methylphenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 120668837
(2S)-2-amino-3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]butanamide
CID 119330173
3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 119951802
(2S)-2-amino-3,3-dimethyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]butanamide;hydrochloride
CID 119802744
(2S)-N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-phenylpentanamide
CID 95629604
2-amino-2-(4-methylphenyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 120668477
2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
CID 120668801
7-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119795297
(Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 98525887
(2S,5R)-5-(aminomethyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride
CID 120794195
N-(4-methylphenyl)-6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 133306403
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669933

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride (CID 120668675) is 2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride is Cc1ccc(C(N)C(=O)NC2CCN(c3cnn(C)c3)C2=O)cc1.Cl.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride?
The InChIKey is QDUIANMGLWKYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2.ClH/c1-11-3-5-12(6-4-11)15(18)16(23)20-14-7-8-22(17(14)24)13-9-19-21(2)10-13;/h3-6,9-10,14-15H,7-8,18H2,1-2H3,(H,20,23);1H.
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride?
2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 120668675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).