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

C22H32N4O — CID 118242503

IUPAC1-tert-butyl-5-pyrrolidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1ncc(C(=O)NC2CC3=CCC4CC3C2C4)c1N1CCCC1
InChIInChI=1S/C22H32N4O/c1-22(2,3)26-21(25-8-4-5-9-25)18(13-23-26)20(27)24-19-12-15-7-6-14-10-16(15)17(19)11-14/h7,13-14,16-17,19H,4-6,8-12H2,1-3H3,(H,24,27)
InChIKeyVLAAJIPBNZKRPZ-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.71
Rot. Bonds3

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

1-tert-butyl-5-pyrrolidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide (PubChem CID 118242503) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 1-tert-butyl-5-pyrrolidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-pyrrolidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
PubChem CID118242503
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name1-tert-butyl-5-pyrrolidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1ncc(C(=O)NC2CC3=CCC4CC3C2C4)c1N1CCCC1
InChIInChI=1S/C22H32N4O/c1-22(2,3)26-21(25-8-4-5-9-25)18(13-23-26)20(27)24-19-12-15-7-6-14-10-16(15)17(19)11-14/h7,13-14,16-17,19H,4-6,8-12H2,1-3H3,(H,24,27)
InChIKeyVLAAJIPBNZKRPZ-UHFFFAOYSA-N
XLogP3.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-tert-butyl-5-pyrrolidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-5-pyrrolidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide (CID 118242503) is 1-tert-butyl-5-pyrrolidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-pyrrolidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-5-pyrrolidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide is CC(C)(C)n1ncc(C(=O)NC2CC3=CCC4CC3C2C4)c1N1CCCC1.
What is the InChIKey of 1-tert-butyl-5-pyrrolidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
The InChIKey is VLAAJIPBNZKRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-22(2,3)26-21(25-8-4-5-9-25)18(13-23-26)20(27)24-19-12-15-7-6-14-10-16(15)17(19)11-14/h7,13-14,16-17,19H,4-6,8-12H2,1-3H3,(H,24,27).
What are the key properties of 1-tert-butyl-5-pyrrolidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
1-tert-butyl-5-pyrrolidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide has a molecular weight of 368.53 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-pyrrolidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide is sourced from PubChem (CID 118242503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).