(1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone

C21H27N3O2 — CID 126784537

IUPAC(1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone
SMILESCc1c(C(=O)N2CCOC(C)(c3ccccc3)C2)cnn1C1CCCC1
InChIInChI=1S/C21H27N3O2/c1-16-19(14-22-24(16)18-10-6-7-11-18)20(25)23-12-13-26-21(2,15-23)17-8-4-3-5-9-17/h3-5,8-9,14,18H,6-7,10-13,15H2,1-2H3
InChIKeyLCSNYNHJVSKGJC-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.69
Rot. Bonds3

About (1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone

(1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone (PubChem CID 126784537) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone
PubChem CID126784537
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone
SMILESCc1c(C(=O)N2CCOC(C)(c3ccccc3)C2)cnn1C1CCCC1
InChIInChI=1S/C21H27N3O2/c1-16-19(14-22-24(16)18-10-6-7-11-18)20(25)23-12-13-26-21(2,15-23)17-8-4-3-5-9-17/h3-5,8-9,14,18H,6-7,10-13,15H2,1-2H3
InChIKeyLCSNYNHJVSKGJC-UHFFFAOYSA-N
XLogP3.69
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid
CID 124688908
(2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone
CID 126840002
[4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone
CID 166343622
N-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide
CID 126776876
1-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperidine-4-carboxylic acid
CID 122106902
(1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone
CID 167946154
[1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone
CID 126817191
2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile
CID 146107759
3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]benzoic acid
CID 120552183
2-(1-cyclopentyl-5-methylpyrazol-4-yl)acetic acid
CID 83883737
1-[4-[1-(1,1-dioxothiolan-3-yl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 110383617
(1-cyclohexyl-5-methylpyrazol-4-yl)-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone
CID 166241214

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone?
The IUPAC name of (1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone (CID 126784537) is (1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for (1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for (1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone is Cc1c(C(=O)N2CCOC(C)(c3ccccc3)C2)cnn1C1CCCC1.
What is the InChIKey of (1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone?
The InChIKey is LCSNYNHJVSKGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-19(14-22-24(16)18-10-6-7-11-18)20(25)23-12-13-26-21(2,15-23)17-8-4-3-5-9-17/h3-5,8-9,14,18H,6-7,10-13,15H2,1-2H3.
What are the key properties of (1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone?
(1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone has a molecular weight of 353.47 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 126784537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).