(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrrolidine-3-carboxamide;hydrochloride

C19H23ClN4O2 — CID 120932206

About (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrrolidine-3-carboxamide;hydrochloride

(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120932206) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrrolidine-3-carboxamide;hydrochloride
• PubChem CID: 120932206
• Molecular Formula: C19H23ClN4O2
• Molecular Weight: 374.87 g/mol
• Exact Mass: 374.15
• IUPAC Name: (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrrolidine-3-carboxamide;hydrochloride
• SMILES: Cl.Cn1cc([C@H]2CNC[C@@H]2C(=O)Nc2ccc3c(c2)C(=O)CCC3)cn1
• InChI: InChI=1S/C19H22N4O2.ClH/c1-23-11-13(8-21-23)16-9-20-10-17(16)19(25)22-14-6-5-12-3-2-4-18(24)15(12)7-14;/h5-8,11,16-17,20H,2-4,9-10H2,1H3,(H,22,25);1H/t16-,17+;/m1./s1
• InChIKey: RVNJSXFIQGMRNW-PPPUBMIESA-N
• XLogP: 2.30
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.87
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrrolidine-3-carboxamide;hydrochloride?

The IUPAC name of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 120932206) is (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrrolidine-3-carboxamide;hydrochloride.

What is the SMILES notation for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrrolidine-3-carboxamide;hydrochloride?

The canonical SMILES for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrrolidine-3-carboxamide;hydrochloride is Cl.Cn1cc([C@H]2CNC[C@@H]2C(=O)Nc2ccc3c(c2)C(=O)CCC3)cn1.

What is the InChIKey of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrrolidine-3-carboxamide;hydrochloride?

The InChIKey is RVNJSXFIQGMRNW-PPPUBMIESA-N. The full InChI is InChI=1S/C19H22N4O2.ClH/c1-23-11-13(8-21-23)16-9-20-10-17(16)19(25)22-14-6-5-12-3-2-4-18(24)15(12)7-14;/h5-8,11,16-17,20H,2-4,9-10H2,1H3,(H,22,25);1H/t16-,17+;/m1./s1.

What are the key properties of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrrolidine-3-carboxamide;hydrochloride?

(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of 2.30, 3 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-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120932206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).