1-ethyl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide

C16H28N4O2 — CID 56906405

IUPAC1-ethyl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(CCCOC)C2CCN(C)CC2)cn1
InChIInChI=1S/C16H28N4O2/c1-4-19-13-14(12-17-19)16(21)20(8-5-11-22-3)15-6-9-18(2)10-7-15/h12-13,15H,4-11H2,1-3H3
InChIKeyYLSUWCCTOIQLBX-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.48
Rot. Bonds7

About 1-ethyl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide

1-ethyl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide (PubChem CID 56906405) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-ethyl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
PubChem CID56906405
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-ethyl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(CCCOC)C2CCN(C)CC2)cn1
InChIInChI=1S/C16H28N4O2/c1-4-19-13-14(12-17-19)16(21)20(8-5-11-22-3)15-6-9-18(2)10-7-15/h12-13,15H,4-11H2,1-3H3
InChIKeyYLSUWCCTOIQLBX-UHFFFAOYSA-N
XLogP1.48
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide (CID 56906405) is 1-ethyl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide is CCn1cc(C(=O)N(CCCOC)C2CCN(C)CC2)cn1.
What is the InChIKey of 1-ethyl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is YLSUWCCTOIQLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-4-19-13-14(12-17-19)16(21)20(8-5-11-22-3)15-6-9-18(2)10-7-15/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 1-ethyl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
1-ethyl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 1.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 56906405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).