[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone;hydrochloride

C19H25ClN4O — CID 120741794

About [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone;hydrochloride

[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone;hydrochloride (PubChem CID 120741794) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone;hydrochloride.

Molecular Properties

• Compound Name: [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone;hydrochloride
• PubChem CID: 120741794
• Molecular Formula: C19H25ClN4O
• Molecular Weight: 360.89 g/mol
• Exact Mass: 360.17
• IUPAC Name: [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone;hydrochloride
• SMILES: Cl.NC[C@@H]1CN(C(=O)C2CCc3cn[nH]c3C2)C[C@H]1c1ccccc1
• InChI: InChI=1S/C19H24N4O.ClH/c20-9-16-11-23(12-17(16)13-4-2-1-3-5-13)19(24)14-6-7-15-10-21-22-18(15)8-14;/h1-5,10,14,16-17H,6-9,11-12,20H2,(H,21,22);1H/t14?,16-,17+;/m1./s1
• InChIKey: WKAMWQQBKHGMCQ-HKTRALOESA-N
• XLogP: 2.14
• TPSA: 75.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.89
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone;hydrochloride?

The IUPAC name of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone;hydrochloride (CID 120741794) is [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone;hydrochloride.

What is the SMILES notation for [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone;hydrochloride?

The canonical SMILES for [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone;hydrochloride is Cl.NC[C@@H]1CN(C(=O)C2CCc3cn[nH]c3C2)C[C@H]1c1ccccc1.

What is the InChIKey of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone;hydrochloride?

The InChIKey is WKAMWQQBKHGMCQ-HKTRALOESA-N. The full InChI is InChI=1S/C19H24N4O.ClH/c20-9-16-11-23(12-17(16)13-4-2-1-3-5-13)19(24)14-6-7-15-10-21-22-18(15)8-14;/h1-5,10,14,16-17H,6-9,11-12,20H2,(H,21,22);1H/t14?,16-,17+;/m1./s1.

What are the key properties of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone;hydrochloride?

[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone;hydrochloride is sourced from PubChem (CID 120741794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).