5-(2-hydroxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide

C17H24N4O2 — CID 118242496

IUPAC5-(2-hydroxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CC3=CCC4CC3C2C4)c1NCCO
InChIInChI=1S/C17H24N4O2/c1-21-16(18-4-5-22)14(9-19-21)17(23)20-15-8-11-3-2-10-6-12(11)13(15)7-10/h3,9-10,12-13,15,18,22H,2,4-8H2,1H3,(H,20,23)
InChIKeyDNZVFGXZHCVXEI-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.30
Rot. Bonds5

About 5-(2-hydroxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide

5-(2-hydroxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide (PubChem CID 118242496) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-(2-hydroxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-hydroxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
PubChem CID118242496
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name5-(2-hydroxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CC3=CCC4CC3C2C4)c1NCCO
InChIInChI=1S/C17H24N4O2/c1-21-16(18-4-5-22)14(9-19-21)17(23)20-15-8-11-3-2-10-6-12(11)13(15)7-10/h3,9-10,12-13,15,18,22H,2,4-8H2,1H3,(H,20,23)
InChIKeyDNZVFGXZHCVXEI-UHFFFAOYSA-N
XLogP1.30
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.30
H-Bond Donors ≤ 53
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 5-(2-hydroxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
The IUPAC name of 5-(2-hydroxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide (CID 118242496) is 5-(2-hydroxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-hydroxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-hydroxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide is Cn1ncc(C(=O)NC2CC3=CCC4CC3C2C4)c1NCCO.
What is the InChIKey of 5-(2-hydroxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
The InChIKey is DNZVFGXZHCVXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-21-16(18-4-5-22)14(9-19-21)17(23)20-15-8-11-3-2-10-6-12(11)13(15)7-10/h3,9-10,12-13,15,18,22H,2,4-8H2,1H3,(H,20,23).
What are the key properties of 5-(2-hydroxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
5-(2-hydroxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide is sourced from PubChem (CID 118242496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).