(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-2-[(3-methylphenyl)methyl]morpholin-4-yl]methanone

C20H25N3O3 — CID 132764967

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-2-[(3-methylphenyl)methyl]morpholin-4-yl]methanone
SMILESCc1cccc(CC2(CO)CN(C(=O)c3cc(C4CC4)[nH]n3)CCO2)c1
InChIInChI=1S/C20H25N3O3/c1-14-3-2-4-15(9-14)11-20(13-24)12-23(7-8-26-20)19(25)18-10-17(21-22-18)16-5-6-16/h2-4,9-10,16,24H,5-8,11-13H2,1H3,(H,21,22)
InChIKeyDRFFGPYUMOTAGS-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.04
Rot. Bonds5

About (5-cyclopropyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-2-[(3-methylphenyl)methyl]morpholin-4-yl]methanone

(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-2-[(3-methylphenyl)methyl]morpholin-4-yl]methanone (PubChem CID 132764967) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-2-[(3-methylphenyl)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-2-[(3-methylphenyl)methyl]morpholin-4-yl]methanone
PubChem CID132764967
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-2-[(3-methylphenyl)methyl]morpholin-4-yl]methanone
SMILESCc1cccc(CC2(CO)CN(C(=O)c3cc(C4CC4)[nH]n3)CCO2)c1
InChIInChI=1S/C20H25N3O3/c1-14-3-2-4-15(9-14)11-20(13-24)12-23(7-8-26-20)19(25)18-10-17(21-22-18)16-5-6-16/h2-4,9-10,16,24H,5-8,11-13H2,1H3,(H,21,22)
InChIKeyDRFFGPYUMOTAGS-UHFFFAOYSA-N
XLogP2.04
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone
CID 132776943
[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 132649107
[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone
CID 132764631
morpholin-4-yl-(5-piperidin-4-yl-1H-pyrazol-3-yl)methanone
CID 119106388
(5-cyclopropyl-1H-pyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 56918384
1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 95840549
(5-cyclopropyl-1H-pyrazol-3-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135120724
[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
CID 132776944
ethyl 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxylate
CID 19591205
(5-bromofuran-2-yl)-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 20910898
(5R)-5-[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
CID 42169344
1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110268929

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-2-[(3-methylphenyl)methyl]morpholin-4-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-2-[(3-methylphenyl)methyl]morpholin-4-yl]methanone (CID 132764967) is (5-cyclopropyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-2-[(3-methylphenyl)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-2-[(3-methylphenyl)methyl]morpholin-4-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-2-[(3-methylphenyl)methyl]morpholin-4-yl]methanone is Cc1cccc(CC2(CO)CN(C(=O)c3cc(C4CC4)[nH]n3)CCO2)c1.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-2-[(3-methylphenyl)methyl]morpholin-4-yl]methanone?
The InChIKey is DRFFGPYUMOTAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-3-2-4-15(9-14)11-20(13-24)12-23(7-8-26-20)19(25)18-10-17(21-22-18)16-5-6-16/h2-4,9-10,16,24H,5-8,11-13H2,1H3,(H,21,22).
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-2-[(3-methylphenyl)methyl]morpholin-4-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-2-[(3-methylphenyl)methyl]morpholin-4-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-2-[(3-methylphenyl)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 132764967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).