1-ethyl-3-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide

C17H30N4O2 — CID 70707303

IUPAC1-ethyl-3-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H30N4O2/c1-4-21-16(13-15(19-21)12-14(2)3)17(22)18-6-5-7-20-8-10-23-11-9-20/h13-14H,4-12H2,1-3H3,(H,18,22)
InChIKeyTUWGQZWPYGMZIS-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.55
Rot. Bonds8

About 1-ethyl-3-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide

1-ethyl-3-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide (PubChem CID 70707303) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
PubChem CID70707303
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name1-ethyl-3-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H30N4O2/c1-4-21-16(13-15(19-21)12-14(2)3)17(22)18-6-5-7-20-8-10-23-11-9-20/h13-14H,4-12H2,1-3H3,(H,18,22)
InChIKeyTUWGQZWPYGMZIS-UHFFFAOYSA-N
XLogP1.55
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
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-3-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-3-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide (CID 70707303) is 1-ethyl-3-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-3-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-3-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide is CCn1nc(CC(C)C)cc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 1-ethyl-3-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide?
The InChIKey is TUWGQZWPYGMZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-4-21-16(13-15(19-21)12-14(2)3)17(22)18-6-5-7-20-8-10-23-11-9-20/h13-14H,4-12H2,1-3H3,(H,18,22).
What are the key properties of 1-ethyl-3-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide?
1-ethyl-3-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70707303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).