(3R,4S)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride

C19H23Cl2N5O2 — CID 120934464

IUPAC(3R,4S)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.Cn1cc([C@H]2CNC[C@@H]2C(=O)NC2CCN(c3ccc(Cl)cc3)C2=O)cn1
InChIInChI=1S/C19H22ClN5O2.ClH/c1-24-11-12(8-22-24)15-9-21-10-16(15)18(26)23-17-6-7-25(19(17)27)14-4-2-13(20)3-5-14;/h2-5,8,11,15-17,21H,6-7,9-10H2,1H3,(H,23,26);1H/t15-,16+,17?;/m1./s1
InChIKeyPZTMVTJYJNWZMO-ADJOTLFASA-N
MW424.33 g/mol
LogP1.72
Rot. Bonds4

About (3R,4S)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride

(3R,4S)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120934464) has the molecular formula C19H23Cl2N5O2 and a molecular weight of 424.33 g/mol. Its IUPAC name is (3R,4S)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID120934464
Molecular FormulaC19H23Cl2N5O2
Molecular Weight424.33 g/mol
Exact Mass423.12
IUPAC Name(3R,4S)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.Cn1cc([C@H]2CNC[C@@H]2C(=O)NC2CCN(c3ccc(Cl)cc3)C2=O)cn1
InChIInChI=1S/C19H22ClN5O2.ClH/c1-24-11-12(8-22-24)15-9-21-10-16(15)18(26)23-17-6-7-25(19(17)27)14-4-2-13(20)3-5-14;/h2-5,8,11,15-17,21H,6-7,9-10H2,1H3,(H,23,26);1H/t15-,16+,17?;/m1./s1
InChIKeyPZTMVTJYJNWZMO-ADJOTLFASA-N
XLogP1.72
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120932997
(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-[1-(4-chlorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918884
(3R,4S)-N-cyclobutyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120924751
(3R,4S)-N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120926248
(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-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120935424
(3R,4S)-N-(1-cyclopropylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120940157
(3R,4S)-N-[1-(4-chlorophenyl)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120929712
(3R,4S)-N-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917469
(3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120937101
(3R,4S)-N-[(4-chlorophenyl)-phenylmethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120919329

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3R,4S)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 120934464) is (3R,4S)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R,4S)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R,4S)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is Cl.Cn1cc([C@H]2CNC[C@@H]2C(=O)NC2CCN(c3ccc(Cl)cc3)C2=O)cn1.
What is the InChIKey of (3R,4S)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is PZTMVTJYJNWZMO-ADJOTLFASA-N. The full InChI is InChI=1S/C19H22ClN5O2.ClH/c1-24-11-12(8-22-24)15-9-21-10-16(15)18(26)23-17-6-7-25(19(17)27)14-4-2-13(20)3-5-14;/h2-5,8,11,15-17,21H,6-7,9-10H2,1H3,(H,23,26);1H/t15-,16+,17?;/m1./s1.
What are the key properties of (3R,4S)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
(3R,4S)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 424.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120934464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).