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

C19H25N3O2 — CID 95349568

IUPAC(2R)-2-methyl-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-one
SMILESC[C@H](COCc1ccccc1)C(=O)N1CCC[C@@H]1c1cnn(C)c1
InChIInChI=1S/C19H25N3O2/c1-15(13-24-14-16-7-4-3-5-8-16)19(23)22-10-6-9-18(22)17-11-20-21(2)12-17/h3-5,7-8,11-12,15,18H,6,9-10,13-14H2,1-2H3/t15-,18-/m1/s1
InChIKeyYOQGYBKPEPRHPQ-CRAIPNDOSA-N
MW327.43 g/mol
LogP2.94
Rot. Bonds6

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

(2R)-2-methyl-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-one (PubChem CID 95349568) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2R)-2-methyl-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-one.

Molecular Properties

Compound Name(2R)-2-methyl-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-one
PubChem CID95349568
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2R)-2-methyl-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-one
SMILESC[C@H](COCc1ccccc1)C(=O)N1CCC[C@@H]1c1cnn(C)c1
InChIInChI=1S/C19H25N3O2/c1-15(13-24-14-16-7-4-3-5-8-16)19(23)22-10-6-9-18(22)17-11-20-21(2)12-17/h3-5,7-8,11-12,15,18H,6,9-10,13-14H2,1-2H3/t15-,18-/m1/s1
InChIKeyYOQGYBKPEPRHPQ-CRAIPNDOSA-N
XLogP2.94
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 56824974
[4-(methoxymethyl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95322352
2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 119877957
(2S)-2-(benzimidazol-1-yl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95752271
2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119877956
3,3-dicyclopropyl-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95348351
2-[3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 86888161
3-[(2R)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 95977734
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95569418
2-(2-fluorophenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569592
2-(4-methoxyphenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569574
2-(4-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56825079

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-one?
The IUPAC name of (2R)-2-methyl-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-one (CID 95349568) is (2R)-2-methyl-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-one.
What is the SMILES notation for (2R)-2-methyl-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-one?
The canonical SMILES for (2R)-2-methyl-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-one is C[C@H](COCc1ccccc1)C(=O)N1CCC[C@@H]1c1cnn(C)c1.
What is the InChIKey of (2R)-2-methyl-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-one?
The InChIKey is YOQGYBKPEPRHPQ-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15(13-24-14-16-7-4-3-5-8-16)19(23)22-10-6-9-18(22)17-11-20-21(2)12-17/h3-5,7-8,11-12,15,18H,6,9-10,13-14H2,1-2H3/t15-,18-/m1/s1.
What are the key properties of (2R)-2-methyl-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-one?
(2R)-2-methyl-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-one has a molecular weight of 327.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-one is sourced from PubChem (CID 95349568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).