(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol

C19H27N3O2 — CID 100842291

IUPAC(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
SMILESCc1cnn(C[C@@H]2CCCN2C[C@@H](O)COCc2ccccc2)c1
InChIInChI=1S/C19H27N3O2/c1-16-10-20-22(11-16)12-18-8-5-9-21(18)13-19(23)15-24-14-17-6-3-2-4-7-17/h2-4,6-7,10-11,18-19,23H,5,8-9,12-15H2,1H3/t18-,19+/m0/s1
InChIKeyJSHGWIYFRPDCNS-RBUKOAKNSA-N
MW329.44 g/mol
LogP2.23
Rot. Bonds8

About (2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol

(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol (PubChem CID 100842291) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
PubChem CID100842291
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
SMILESCc1cnn(C[C@@H]2CCCN2C[C@@H](O)COCc2ccccc2)c1
InChIInChI=1S/C19H27N3O2/c1-16-10-20-22(11-16)12-18-8-5-9-21(18)13-19(23)15-24-14-17-6-3-2-4-7-17/h2-4,6-7,10-11,18-19,23H,5,8-9,12-15H2,1H3/t18-,19+/m0/s1
InChIKeyJSHGWIYFRPDCNS-RBUKOAKNSA-N
XLogP2.23
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol with MolForge

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Related Compounds

(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 100842296
(2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol
CID 95610423
(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol
CID 100841531
(2S)-1-[benzyl(methyl)amino]-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol
CID 100842295
4-[(2S)-2-hydroxy-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propoxy]benzonitrile
CID 95609524
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 115312774
(2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol
CID 95610418
1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol
CID 83045560
1-benzyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole
CID 95609576
(1S)-1-(2,5-dimethoxyphenyl)-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanol
CID 129448778
(2S)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 95307671
2-methyl-3-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinoxaline
CID 95611660

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol (CID 100842291) is (2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol is Cc1cnn(C[C@@H]2CCCN2C[C@@H](O)COCc2ccccc2)c1.
What is the InChIKey of (2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol?
The InChIKey is JSHGWIYFRPDCNS-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-16-10-20-22(11-16)12-18-8-5-9-21(18)13-19(23)15-24-14-17-6-3-2-4-7-17/h2-4,6-7,10-11,18-19,23H,5,8-9,12-15H2,1H3/t18-,19+/m0/s1.
What are the key properties of (2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol?
(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol has a molecular weight of 329.44 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 100842291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).