1-methyl-5-morpholin-4-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide

C19H26N4O2 — CID 118242494

IUPAC1-methyl-5-morpholin-4-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CC3=CCC4CC3C2C4)c1N1CCOCC1
InChIInChI=1S/C19H26N4O2/c1-22-19(23-4-6-25-7-5-23)16(11-20-22)18(24)21-17-10-13-3-2-12-8-14(13)15(17)9-12/h3,11-12,14-15,17H,2,4-10H2,1H3,(H,21,24)
InChIKeyQEQHNQCNWFSSEE-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.73
Rot. Bonds3

About 1-methyl-5-morpholin-4-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide

1-methyl-5-morpholin-4-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide (PubChem CID 118242494) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-methyl-5-morpholin-4-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-5-morpholin-4-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
PubChem CID118242494
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-methyl-5-morpholin-4-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CC3=CCC4CC3C2C4)c1N1CCOCC1
InChIInChI=1S/C19H26N4O2/c1-22-19(23-4-6-25-7-5-23)16(11-20-22)18(24)21-17-10-13-3-2-12-8-14(13)15(17)9-12/h3,11-12,14-15,17H,2,4-10H2,1H3,(H,21,24)
InChIKeyQEQHNQCNWFSSEE-UHFFFAOYSA-N
XLogP1.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-morpholin-4-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-5-morpholin-4-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide (CID 118242494) is 1-methyl-5-morpholin-4-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-5-morpholin-4-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-5-morpholin-4-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide is Cn1ncc(C(=O)NC2CC3=CCC4CC3C2C4)c1N1CCOCC1.
What is the InChIKey of 1-methyl-5-morpholin-4-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
The InChIKey is QEQHNQCNWFSSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22-19(23-4-6-25-7-5-23)16(11-20-22)18(24)21-17-10-13-3-2-12-8-14(13)15(17)9-12/h3,11-12,14-15,17H,2,4-10H2,1H3,(H,21,24).
What are the key properties of 1-methyl-5-morpholin-4-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
1-methyl-5-morpholin-4-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-morpholin-4-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide is sourced from PubChem (CID 118242494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).