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

C18H26N4O2 — CID 118242482

IUPAC5-(2-methoxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
SMILESCOCCNc1c(C(=O)NC2CC3=CCC4CC3C2C4)cnn1C
InChIInChI=1S/C18H26N4O2/c1-22-17(19-5-6-24-2)15(10-20-22)18(23)21-16-9-12-4-3-11-7-13(12)14(16)8-11/h4,10-11,13-14,16,19H,3,5-9H2,1-2H3,(H,21,23)
InChIKeyHFGMPUTVNNCSDZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.95
Rot. Bonds6

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

5-(2-methoxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide (PubChem CID 118242482) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-(2-methoxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
PubChem CID118242482
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name5-(2-methoxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
SMILESCOCCNc1c(C(=O)NC2CC3=CCC4CC3C2C4)cnn1C
InChIInChI=1S/C18H26N4O2/c1-22-17(19-5-6-24-2)15(10-20-22)18(23)21-16-9-12-4-3-11-7-13(12)14(16)8-11/h4,10-11,13-14,16,19H,3,5-9H2,1-2H3,(H,21,23)
InChIKeyHFGMPUTVNNCSDZ-UHFFFAOYSA-N
XLogP1.95
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-methoxyethyl(methyl)amino]-1-methyl-N-(4-tricyclo[5.3.1.03,9]undecanyl)pyrazole-4-carboxamide
CID 68382899
5-(2-hydroxyethylamino)-1-methyl-N-(4-tricyclo[5.3.1.03,9]undecanyl)pyrazole-4-carboxamide
CID 68383056
1-methyl-5-morpholin-4-yl-N-(4-tricyclo[5.3.1.03,9]undecanyl)pyrazole-4-carboxamide
CID 68383060
5-(2-methoxyethylamino)-1-methyl-N-(4-tricyclo[5.3.1.03,9]undecanyl)pyrazole-4-carboxamide
CID 68383070
N-[(2R)-5-acetamido-2-tricyclo[5.3.1.03,9]undecanyl]-1-[(E)-4-(ethylamino)-3,3-dimethyl-4-oxobut-1-enyl]-5-(propan-2-ylamino)pyrazole-4-carboxamide
CID 117931345
5-(3-hydroxypyrrolidin-1-yl)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
CID 118242487
5-(azepan-1-yl)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
CID 118242492
1-methyl-5-morpholin-4-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
CID 118242494
5-(2-hydroxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
CID 118242496
5-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
CID 118242497
1-tert-butyl-5-piperidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
CID 118242498
1-tert-butyl-5-pyrrolidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
CID 118242503

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
The IUPAC name of 5-(2-methoxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide (CID 118242482) is 5-(2-methoxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-methoxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-methoxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide is COCCNc1c(C(=O)NC2CC3=CCC4CC3C2C4)cnn1C.
What is the InChIKey of 5-(2-methoxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
The InChIKey is HFGMPUTVNNCSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-22-17(19-5-6-24-2)15(10-20-22)18(23)21-16-9-12-4-3-11-7-13(12)14(16)8-11/h4,10-11,13-14,16,19H,3,5-9H2,1-2H3,(H,21,23).
What are the key properties of 5-(2-methoxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
5-(2-methoxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide is sourced from PubChem (CID 118242482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).