[2-(4-methylpentyl)morpholin-4-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone

C18H31N3O2 — CID 45172896

IUPAC[2-(4-methylpentyl)morpholin-4-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)N2CCOC(CCCC(C)C)C2)c(C)n1
InChIInChI=1S/C18H31N3O2/c1-5-9-21-13-17(15(4)19-21)18(22)20-10-11-23-16(12-20)8-6-7-14(2)3/h13-14,16H,5-12H2,1-4H3
InChIKeyFYENLSFZYXQJED-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.27
Rot. Bonds7

About [2-(4-methylpentyl)morpholin-4-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone

[2-(4-methylpentyl)morpholin-4-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone (PubChem CID 45172896) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is [2-(4-methylpentyl)morpholin-4-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(4-methylpentyl)morpholin-4-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
PubChem CID45172896
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name[2-(4-methylpentyl)morpholin-4-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)N2CCOC(CCCC(C)C)C2)c(C)n1
InChIInChI=1S/C18H31N3O2/c1-5-9-21-13-17(15(4)19-21)18(22)20-10-11-23-16(12-20)8-6-7-14(2)3/h13-14,16H,5-12H2,1-4H3
InChIKeyFYENLSFZYXQJED-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpentyl)morpholin-4-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone?
The IUPAC name of [2-(4-methylpentyl)morpholin-4-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone (CID 45172896) is [2-(4-methylpentyl)morpholin-4-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-(4-methylpentyl)morpholin-4-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone?
The canonical SMILES for [2-(4-methylpentyl)morpholin-4-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)N2CCOC(CCCC(C)C)C2)c(C)n1.
What is the InChIKey of [2-(4-methylpentyl)morpholin-4-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone?
The InChIKey is FYENLSFZYXQJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-5-9-21-13-17(15(4)19-21)18(22)20-10-11-23-16(12-20)8-6-7-14(2)3/h13-14,16H,5-12H2,1-4H3.
What are the key properties of [2-(4-methylpentyl)morpholin-4-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone?
[2-(4-methylpentyl)morpholin-4-yl]-(3-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 [2-(4-methylpentyl)morpholin-4-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 45172896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).