(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone

C17H29N3O2 — CID 56879584

IUPAC(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCCc1[nH]nc(C(=O)N2CCOC(CCCC(C)C)C2)c1C
InChIInChI=1S/C17H29N3O2/c1-5-15-13(4)16(19-18-15)17(21)20-9-10-22-14(11-20)8-6-7-12(2)3/h12,14H,5-11H2,1-4H3,(H,18,19)
InChIKeyRKJMAOCDNGSZPO-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.95
Rot. Bonds6

About (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone

(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone (PubChem CID 56879584) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
PubChem CID56879584
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCCc1[nH]nc(C(=O)N2CCOC(CCCC(C)C)C2)c1C
InChIInChI=1S/C17H29N3O2/c1-5-15-13(4)16(19-18-15)17(21)20-9-10-22-14(11-20)8-6-7-12(2)3/h12,14H,5-11H2,1-4H3,(H,18,19)
InChIKeyRKJMAOCDNGSZPO-UHFFFAOYSA-N
XLogP2.95
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The IUPAC name of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone (CID 56879584) is (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The canonical SMILES for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone is CCc1[nH]nc(C(=O)N2CCOC(CCCC(C)C)C2)c1C.
What is the InChIKey of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The InChIKey is RKJMAOCDNGSZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-5-15-13(4)16(19-18-15)17(21)20-9-10-22-14(11-20)8-6-7-12(2)3/h12,14H,5-11H2,1-4H3,(H,18,19).
What are the key properties of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone?
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone has a molecular weight of 307.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56879584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).