[2-(4-methylpentyl)morpholin-4-yl]-(5-propyl-1H-pyrazol-4-yl)methanone

C17H29N3O2 — CID 56874517

IUPAC[2-(4-methylpentyl)morpholin-4-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
SMILESCCCc1[nH]ncc1C(=O)N1CCOC(CCCC(C)C)C1
InChIInChI=1S/C17H29N3O2/c1-4-6-16-15(11-18-19-16)17(21)20-9-10-22-14(12-20)8-5-7-13(2)3/h11,13-14H,4-10,12H2,1-3H3,(H,18,19)
InChIKeyXRHRNVLQIRSDOZ-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.03
Rot. Bonds7

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

[2-(4-methylpentyl)morpholin-4-yl]-(5-propyl-1H-pyrazol-4-yl)methanone (PubChem CID 56874517) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is [2-(4-methylpentyl)morpholin-4-yl]-(5-propyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(4-methylpentyl)morpholin-4-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
PubChem CID56874517
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name[2-(4-methylpentyl)morpholin-4-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
SMILESCCCc1[nH]ncc1C(=O)N1CCOC(CCCC(C)C)C1
InChIInChI=1S/C17H29N3O2/c1-4-6-16-15(11-18-19-16)17(21)20-9-10-22-14(12-20)8-5-7-13(2)3/h11,13-14H,4-10,12H2,1-3H3,(H,18,19)
InChIKeyXRHRNVLQIRSDOZ-UHFFFAOYSA-N
XLogP3.03
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpentyl)morpholin-4-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [2-(4-methylpentyl)morpholin-4-yl]-(5-propyl-1H-pyrazol-4-yl)methanone (CID 56874517) is [2-(4-methylpentyl)morpholin-4-yl]-(5-propyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [2-(4-methylpentyl)morpholin-4-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [2-(4-methylpentyl)morpholin-4-yl]-(5-propyl-1H-pyrazol-4-yl)methanone is CCCc1[nH]ncc1C(=O)N1CCOC(CCCC(C)C)C1.
What is the InChIKey of [2-(4-methylpentyl)morpholin-4-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
The InChIKey is XRHRNVLQIRSDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-4-6-16-15(11-18-19-16)17(21)20-9-10-22-14(12-20)8-5-7-13(2)3/h11,13-14H,4-10,12H2,1-3H3,(H,18,19).
What are the key properties of [2-(4-methylpentyl)morpholin-4-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
[2-(4-methylpentyl)morpholin-4-yl]-(5-propyl-1H-pyrazol-4-yl)methanone has a molecular weight of 307.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpentyl)morpholin-4-yl]-(5-propyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 56874517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).