[(3S,4R)-4-(1-methylpyrazol-4-yl)-1-quinoxalin-2-ylpyrrolidin-3-yl]methanol

C17H19N5O — CID 100663483

IUPAC[(3S,4R)-4-(1-methylpyrazol-4-yl)-1-quinoxalin-2-ylpyrrolidin-3-yl]methanol
SMILESCn1cc([C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2CO)cn1
InChIInChI=1S/C17H19N5O/c1-21-8-12(6-19-21)14-10-22(9-13(14)11-23)17-7-18-15-4-2-3-5-16(15)20-17/h2-8,13-14,23H,9-11H2,1H3/t13-,14-/m0/s1
InChIKeyBZMSSRQXUULNOW-KBPBESRZSA-N
MW309.37 g/mol
LogP1.58
Rot. Bonds3

About [(3S,4R)-4-(1-methylpyrazol-4-yl)-1-quinoxalin-2-ylpyrrolidin-3-yl]methanol

[(3S,4R)-4-(1-methylpyrazol-4-yl)-1-quinoxalin-2-ylpyrrolidin-3-yl]methanol (PubChem CID 100663483) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is [(3S,4R)-4-(1-methylpyrazol-4-yl)-1-quinoxalin-2-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-4-(1-methylpyrazol-4-yl)-1-quinoxalin-2-ylpyrrolidin-3-yl]methanol
PubChem CID100663483
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name[(3S,4R)-4-(1-methylpyrazol-4-yl)-1-quinoxalin-2-ylpyrrolidin-3-yl]methanol
SMILESCn1cc([C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2CO)cn1
InChIInChI=1S/C17H19N5O/c1-21-8-12(6-19-21)14-10-22(9-13(14)11-23)17-7-18-15-4-2-3-5-16(15)20-17/h2-8,13-14,23H,9-11H2,1H3/t13-,14-/m0/s1
InChIKeyBZMSSRQXUULNOW-KBPBESRZSA-N
XLogP1.58
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S,4R)-1-(2,3-dimethylquinolin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 120581462
[(3S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 100663734
[(3S,4R)-1-[(1-methylbenzimidazol-2-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 100669633
2-[(3S,4R)-3-(hydroxymethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 120581458
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004042
[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004048
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline
CID 95342310
[(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 86767710
[(3S,4R)-1-[[4-(hydroxymethyl)phenyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 120581535
[(3S,4R)-4-(1-methylpyrazol-4-yl)-1-[(E)-4-phenylbut-3-enyl]pyrrolidin-3-yl]methanol
CID 139019953
[(3S,4R)-1-butylsulfonyl-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 128996429
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]quinoxaline
CID 114042518

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-(1-methylpyrazol-4-yl)-1-quinoxalin-2-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-4-(1-methylpyrazol-4-yl)-1-quinoxalin-2-ylpyrrolidin-3-yl]methanol (CID 100663483) is [(3S,4R)-4-(1-methylpyrazol-4-yl)-1-quinoxalin-2-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-4-(1-methylpyrazol-4-yl)-1-quinoxalin-2-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-4-(1-methylpyrazol-4-yl)-1-quinoxalin-2-ylpyrrolidin-3-yl]methanol is Cn1cc([C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2CO)cn1.
What is the InChIKey of [(3S,4R)-4-(1-methylpyrazol-4-yl)-1-quinoxalin-2-ylpyrrolidin-3-yl]methanol?
The InChIKey is BZMSSRQXUULNOW-KBPBESRZSA-N. The full InChI is InChI=1S/C17H19N5O/c1-21-8-12(6-19-21)14-10-22(9-13(14)11-23)17-7-18-15-4-2-3-5-16(15)20-17/h2-8,13-14,23H,9-11H2,1H3/t13-,14-/m0/s1.
What are the key properties of [(3S,4R)-4-(1-methylpyrazol-4-yl)-1-quinoxalin-2-ylpyrrolidin-3-yl]methanol?
[(3S,4R)-4-(1-methylpyrazol-4-yl)-1-quinoxalin-2-ylpyrrolidin-3-yl]methanol has a molecular weight of 309.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-(1-methylpyrazol-4-yl)-1-quinoxalin-2-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 100663483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).