methyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride

C19H23ClN4O3 — CID 155938934

IUPACmethyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc2n(n1)CCN(C(=O)[C@H]1CC[C@H](c3ccccc3)N1)C2.Cl
InChIInChI=1S/C19H22N4O3.ClH/c1-26-19(25)17-11-14-12-22(9-10-23(14)21-17)18(24)16-8-7-15(20-16)13-5-3-2-4-6-13;/h2-6,11,15-16,20H,7-10,12H2,1H3;1H/t15-,16-;/m1./s1
InChIKeyCTQNPHNXZKXYQV-QNBGGDODSA-N
MW390.87 g/mol
LogP1.93
Rot. Bonds3

About methyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride

methyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride (PubChem CID 155938934) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is methyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride
PubChem CID155938934
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Namemethyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc2n(n1)CCN(C(=O)[C@H]1CC[C@H](c3ccccc3)N1)C2.Cl
InChIInChI=1S/C19H22N4O3.ClH/c1-26-19(25)17-11-14-12-22(9-10-23(14)21-17)18(24)16-8-7-15(20-16)13-5-3-2-4-6-13;/h2-6,11,15-16,20H,7-10,12H2,1H3;1H/t15-,16-;/m1./s1
InChIKeyCTQNPHNXZKXYQV-QNBGGDODSA-N
XLogP1.93
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride with MolForge

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Related Compounds

methyl 1-methyl-5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
CID 155940039
methyl 5-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50953211
methyl 5-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50963781
[(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 155493050
5-(5-oxopyrrolidine-2-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 56720802
methyl 5-phenylpyrrolidine-2-carboxylate
CID 67257959
[4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride
CID 154924091
(2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 146049803
7-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 155495679
methyl 2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)benzoate
CID 119103036
methyl 5-[(E)-4-phenylbut-3-enoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50977815
methyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 95123709

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride (CID 155938934) is methyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride is COC(=O)c1cc2n(n1)CCN(C(=O)[C@H]1CC[C@H](c3ccccc3)N1)C2.Cl.
What is the InChIKey of methyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride?
The InChIKey is CTQNPHNXZKXYQV-QNBGGDODSA-N. The full InChI is InChI=1S/C19H22N4O3.ClH/c1-26-19(25)17-11-14-12-22(9-10-23(14)21-17)18(24)16-8-7-15(20-16)13-5-3-2-4-6-13;/h2-6,11,15-16,20H,7-10,12H2,1H3;1H/t15-,16-;/m1./s1.
What are the key properties of methyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride?
methyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride has a molecular weight of 390.87 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride is sourced from PubChem (CID 155938934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).