[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone

C20H26N4O3 — CID 70764759

IUPAC[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)N1C[C@@H](CN2CCOCC2)[C@@H](CO)C1
InChIInChI=1S/C20H26N4O3/c25-15-18-13-23(12-17(18)11-22-6-8-27-9-7-22)20(26)16-10-21-24(14-16)19-4-2-1-3-5-19/h1-5,10,14,17-18,25H,6-9,11-13,15H2/t17-,18-/m1/s1
InChIKeySCWLFHUVTWDJEO-QZTJIDSGSA-N
MW370.45 g/mol
LogP0.88
Rot. Bonds5

About [(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone

[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone (PubChem CID 70764759) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is [(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
PubChem CID70764759
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)N1C[C@@H](CN2CCOCC2)[C@@H](CO)C1
InChIInChI=1S/C20H26N4O3/c25-15-18-13-23(12-17(18)11-22-6-8-27-9-7-22)20(26)16-10-21-24(14-16)19-4-2-1-3-5-19/h1-5,10,14,17-18,25H,6-9,11-13,15H2/t17-,18-/m1/s1
InChIKeySCWLFHUVTWDJEO-QZTJIDSGSA-N
XLogP0.88
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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[1-(2-Fluorophenyl)pyrazol-4-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
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[1-(2-Fluorophenyl)pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 72141772
[1-(1-Ethyl-1H-pyrazole-4-carbonyl)-4-(pyridin-2-YL)pyrrolidin-3-YL]methanol
CID 110203386
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CID 124050382
1-(4-fluorophenyl)-N-(oxan-3-yl)pyrazole-4-carboxamide
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2-Ethoxy-1-[4-(1-phenyl-1H-pyrazol-4-YL)piperidin-1-YL]ethan-1-one
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2-(3-morpholinyl)-N-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]acetamide
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{(3R*,4R*)-4-{[(2-methoxyethyl)(methyl)amino]methyl}-1-[(1-phenyl-1H-pyrazol-4-yl)carbonyl]pyrrolidin-3-yl}methanol
CID 70755221
3-{(3R*,4S*)-4-morpholin-4-yl-1-[(1-phenyl-1H-pyrazol-4-yl)carbonyl]piperidin-3-yl}propan-1-ol
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[1-[(1-phenyl-1H-pyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone (CID 70764759) is [(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone is O=C(c1cnn(-c2ccccc2)c1)N1C[C@@H](CN2CCOCC2)[C@@H](CO)C1.
What is the InChIKey of [(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is SCWLFHUVTWDJEO-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-15-18-13-23(12-17(18)11-22-6-8-27-9-7-22)20(26)16-10-21-24(14-16)19-4-2-1-3-5-19/h1-5,10,14,17-18,25H,6-9,11-13,15H2/t17-,18-/m1/s1.
What are the key properties of [(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 370.45 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 70764759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).