4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride

C18H22ClN5O2 — CID 120748845

IUPAC4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride
SMILESCl.N[C@@H]1CN(C(=O)C2CC(=O)N(c3cn[nH]c3)C2)C[C@H]1c1ccccc1
InChIInChI=1S/C18H21N5O2.ClH/c19-16-11-22(10-15(16)12-4-2-1-3-5-12)18(25)13-6-17(24)23(9-13)14-7-20-21-8-14;/h1-5,7-8,13,15-16H,6,9-11,19H2,(H,20,21);1H/t13?,15-,16+;/m0./s1
InChIKeyBJXQMOQKRCPMPJ-RZFYBLOTSA-N
MW375.86 g/mol
LogP1.14
Rot. Bonds3

About 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride

4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride (PubChem CID 120748845) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride
PubChem CID120748845
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride
SMILESCl.N[C@@H]1CN(C(=O)C2CC(=O)N(c3cn[nH]c3)C2)C[C@H]1c1ccccc1
InChIInChI=1S/C18H21N5O2.ClH/c19-16-11-22(10-15(16)12-4-2-1-3-5-12)18(25)13-6-17(24)23(9-13)14-7-20-21-8-14;/h1-5,7-8,13,15-16H,6,9-11,19H2,(H,20,21);1H/t13?,15-,16+;/m0./s1
InChIKeyBJXQMOQKRCPMPJ-RZFYBLOTSA-N
XLogP1.14
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;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

4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one;hydrochloride
CID 120746954
(4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124698691
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-ethylpyrrolidin-2-one;hydrochloride
CID 120746956
4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 120744729
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 120814064
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 120747956
4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 120745916
(4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124697847
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 120749928
(3S)-5-oxo-N-[(4-phenylsulfanylphenyl)methyl]-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 99612706
[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 72875520
(4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124690531

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride (CID 120748845) is 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride is Cl.N[C@@H]1CN(C(=O)C2CC(=O)N(c3cn[nH]c3)C2)C[C@H]1c1ccccc1.
What is the InChIKey of 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride?
The InChIKey is BJXQMOQKRCPMPJ-RZFYBLOTSA-N. The full InChI is InChI=1S/C18H21N5O2.ClH/c19-16-11-22(10-15(16)12-4-2-1-3-5-12)18(25)13-6-17(24)23(9-13)14-7-20-21-8-14;/h1-5,7-8,13,15-16H,6,9-11,19H2,(H,20,21);1H/t13?,15-,16+;/m0./s1.
What are the key properties of 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride?
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride has a molecular weight of 375.86 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120748845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).