[(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone

C18H31N3O2 — CID 25373845

IUPAC[(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1ncc(C(=O)N2CCO[C@@H](CCCC(C)C)C2)c1C
InChIInChI=1S/C18H31N3O2/c1-5-9-21-15(4)17(12-19-21)18(22)20-10-11-23-16(13-20)8-6-7-14(2)3/h12,14,16H,5-11,13H2,1-4H3/t16-/m0/s1
InChIKeySOBBEIJCIKGKCK-INIZCTEOSA-N
MW321.47 g/mol
LogP3.27
Rot. Bonds7

About [(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone

[(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone (PubChem CID 25373845) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is [(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
PubChem CID25373845
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name[(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1ncc(C(=O)N2CCO[C@@H](CCCC(C)C)C2)c1C
InChIInChI=1S/C18H31N3O2/c1-5-9-21-15(4)17(12-19-21)18(22)20-10-11-23-16(13-20)8-6-7-14(2)3/h12,14,16H,5-11,13H2,1-4H3/t16-/m0/s1
InChIKeySOBBEIJCIKGKCK-INIZCTEOSA-N
XLogP3.27
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 95556503
(1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207907
4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 120526129
5-methyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]-1-propylpyrazole-4-carboxamide
CID 95188653
2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697770
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 95556606
2-methyl-1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]propan-1-one
CID 95225161
[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62988630
(5-methyl-1-propylpyrazol-4-yl)-[3-(propoxymethyl)pyrrolidin-1-yl]methanone
CID 72881839
(2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
CID 56875364
2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697804
2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 42519260

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone?
The IUPAC name of [(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone (CID 25373845) is [(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone is CCCn1ncc(C(=O)N2CCO[C@@H](CCCC(C)C)C2)c1C.
What is the InChIKey of [(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone?
The InChIKey is SOBBEIJCIKGKCK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-5-9-21-15(4)17(12-19-21)18(22)20-10-11-23-16(13-20)8-6-7-14(2)3/h12,14,16H,5-11,13H2,1-4H3/t16-/m0/s1.
What are the key properties of [(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone?
[(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone has a molecular weight of 321.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 25373845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).