(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide;hydrochloride

C20H26ClN5O2 — CID 120932997

IUPAC(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.Cn1cc([C@H]2CNC[C@@H]2C(=O)NC2CCCN(c3ccccc3)C2=O)cn1
InChIInChI=1S/C20H25N5O2.ClH/c1-24-13-14(10-22-24)16-11-21-12-17(16)19(26)23-18-8-5-9-25(20(18)27)15-6-3-2-4-7-15;/h2-4,6-7,10,13,16-18,21H,5,8-9,11-12H2,1H3,(H,23,26);1H/t16-,17+,18?;/m1./s1
InChIKeyZMBLXZPNHSLZOK-HHPOWCFNSA-N
MW403.91 g/mol
LogP1.46
Rot. Bonds4

About (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide;hydrochloride

(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120932997) has the molecular formula C20H26ClN5O2 and a molecular weight of 403.91 g/mol. Its IUPAC name is (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID120932997
Molecular FormulaC20H26ClN5O2
Molecular Weight403.91 g/mol
Exact Mass403.18
IUPAC Name(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.Cn1cc([C@H]2CNC[C@@H]2C(=O)NC2CCCN(c3ccccc3)C2=O)cn1
InChIInChI=1S/C20H25N5O2.ClH/c1-24-13-14(10-22-24)16-11-21-12-17(16)19(26)23-18-8-5-9-25(20(18)27)15-6-3-2-4-7-15;/h2-4,6-7,10,13,16-18,21H,5,8-9,11-12H2,1H3,(H,23,26);1H/t16-,17+,18?;/m1./s1
InChIKeyZMBLXZPNHSLZOK-HHPOWCFNSA-N
XLogP1.46
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-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

(3R,4S)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120934464
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide
CID 120941945
(3R,4S)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120935424
(3R,4S)-N-cyclobutyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120924751
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 120920591
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 120932603
(3R,4S)-N-(2-benzylcyclopentyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120933888
2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119185398
(3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120937100
(3R,4S)-N-benzhydryl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917707
(3R,4S)-N-(1-cyclopropylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120940157
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120920625

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 120932997) is (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide;hydrochloride is Cl.Cn1cc([C@H]2CNC[C@@H]2C(=O)NC2CCCN(c3ccccc3)C2=O)cn1.
What is the InChIKey of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ZMBLXZPNHSLZOK-HHPOWCFNSA-N. The full InChI is InChI=1S/C20H25N5O2.ClH/c1-24-13-14(10-22-24)16-11-21-12-17(16)19(26)23-18-8-5-9-25(20(18)27)15-6-3-2-4-7-15;/h2-4,6-7,10,13,16-18,21H,5,8-9,11-12H2,1H3,(H,23,26);1H/t16-,17+,18?;/m1./s1.
What are the key properties of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide;hydrochloride?
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 403.91 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120932997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).