[(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methanol

C19H28N4O — CID 70788851

IUPAC[(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methanol
SMILESCc1cc(-n2cccn2)ccc1CN1C[C@@H](CN(C)C)[C@@H](CO)C1
InChIInChI=1S/C19H28N4O/c1-15-9-19(23-8-4-7-20-23)6-5-16(15)11-22-12-17(10-21(2)3)18(13-22)14-24/h4-9,17-18,24H,10-14H2,1-3H3/t17-,18-/m1/s1
InChIKeyRRGZTWFXLIBDGY-QZTJIDSGSA-N
MW328.46 g/mol
LogP1.78
Rot. Bonds6

About [(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methanol

[(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 70788851) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is [(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID70788851
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name[(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methanol
SMILESCc1cc(-n2cccn2)ccc1CN1C[C@@H](CN(C)C)[C@@H](CO)C1
InChIInChI=1S/C19H28N4O/c1-15-9-19(23-8-4-7-20-23)6-5-16(15)11-22-12-17(10-21(2)3)18(13-22)14-24/h4-9,17-18,24H,10-14H2,1-3H3/t17-,18-/m1/s1
InChIKeyRRGZTWFXLIBDGY-QZTJIDSGSA-N
XLogP1.78
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methanol (CID 70788851) is [(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methanol is Cc1cc(-n2cccn2)ccc1CN1C[C@@H](CN(C)C)[C@@H](CO)C1.
What is the InChIKey of [(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is RRGZTWFXLIBDGY-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15-9-19(23-8-4-7-20-23)6-5-16(15)11-22-12-17(10-21(2)3)18(13-22)14-24/h4-9,17-18,24H,10-14H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of [(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methanol?
[(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 328.46 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70788851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).