(2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol

C19H28N4O — CID 95610412

IUPAC(2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
SMILESCN(Cc1ccccc1)C[C@H](O)CN1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C19H28N4O/c1-21(13-17-7-3-2-4-8-17)15-19(24)16-22-11-5-9-18(22)14-23-12-6-10-20-23/h2-4,6-8,10,12,18-19,24H,5,9,11,13-16H2,1H3/t18-,19+/m1/s1
InChIKeyDHHCVKKGILGVSN-MOPGFXCFSA-N
MW328.46 g/mol
LogP1.84
Rot. Bonds8

About (2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol

(2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 95610412) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
PubChem CID95610412
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
SMILESCN(Cc1ccccc1)C[C@H](O)CN1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C19H28N4O/c1-21(13-17-7-3-2-4-8-17)15-19(24)16-22-11-5-9-18(22)14-23-12-6-10-20-23/h2-4,6-8,10,12,18-19,24H,5,9,11,13-16H2,1H3/t18-,19+/m1/s1
InChIKeyDHHCVKKGILGVSN-MOPGFXCFSA-N
XLogP1.84
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{1-(4-methylbenzyl)-4-[3-(1H-pyrazol-1-yl)propyl]-2-piperazinyl}ethanol
CID 16188653
2-{1-benzyl-4-[3-(1H-pyrazol-1-yl)propyl]-2-piperazinyl}ethanol
CID 16191842
2-[4-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-1-(2-phenylethyl)-2-piperazinyl]ethanol
CID 16191174
2-[4-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 16191358
(3R*,4R*)-4-(4-methyl-1-piperazinyl)-1-[3-(1H-pyrazol-1-yl)benzyl]-3-piperidinol
CID 28769447
(4-fluorobenzyl)[(1-isopropyl-1H-pyrazol-4-yl)methyl](tetrahydrofuran-2-ylmethyl)amine
CID 46998990
1'-[3-(1H-pyrazol-1-ylmethyl)benzyl]-1,4'-bipiperidin-4-ol
CID 50983971
4-(3-Phenylpropyl)-2-(pyrazol-1-ylmethyl)morpholine
CID 53557637
2-[(4-Methylpyrazol-1-yl)methyl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine
CID 53562885
4-[[2-(Pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 53619697
2-[Benzyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 53626839
3-[[2-(Pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 56780393

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol (CID 95610412) is (2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol is CN(Cc1ccccc1)C[C@H](O)CN1CCC[C@@H]1Cn1cccn1.
What is the InChIKey of (2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is DHHCVKKGILGVSN-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H28N4O/c1-21(13-17-7-3-2-4-8-17)15-19(24)16-22-11-5-9-18(22)14-23-12-6-10-20-23/h2-4,6-8,10,12,18-19,24H,5,9,11,13-16H2,1H3/t18-,19+/m1/s1.
What are the key properties of (2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol?
(2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 328.46 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 95610412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).