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

C19H26N4O2 — CID 118242497

IUPAC5-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CC3=CCC4CC3C2C4)c1N1CC[C@@H](O)C1
InChIInChI=1S/C19H26N4O2/c1-22-19(23-5-4-13(24)10-23)16(9-20-22)18(25)21-17-8-12-3-2-11-6-14(12)15(17)7-11/h3,9,11,13-15,17,24H,2,4-8,10H2,1H3,(H,21,25)/t11?,13-,14?,15?,17?/m1/s1
InChIKeyJUQKNPDPEPEOTF-WBTMDNOWSA-N
MW342.44 g/mol
LogP1.47
Rot. Bonds3

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

5-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide (PubChem CID 118242497) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
PubChem CID118242497
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name5-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CC3=CCC4CC3C2C4)c1N1CC[C@@H](O)C1
InChIInChI=1S/C19H26N4O2/c1-22-19(23-5-4-13(24)10-23)16(9-20-22)18(25)21-17-8-12-3-2-11-6-14(12)15(17)7-11/h3,9,11,13-15,17,24H,2,4-8,10H2,1H3,(H,21,25)/t11?,13-,14?,15?,17?/m1/s1
InChIKeyJUQKNPDPEPEOTF-WBTMDNOWSA-N
XLogP1.47
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.47
H-Bond Donors ≤ 52
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-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
The IUPAC name of 5-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide (CID 118242497) is 5-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide is Cn1ncc(C(=O)NC2CC3=CCC4CC3C2C4)c1N1CC[C@@H](O)C1.
What is the InChIKey of 5-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
The InChIKey is JUQKNPDPEPEOTF-WBTMDNOWSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22-19(23-5-4-13(24)10-23)16(9-20-22)18(25)21-17-8-12-3-2-11-6-14(12)15(17)7-11/h3,9,11,13-15,17,24H,2,4-8,10H2,1H3,(H,21,25)/t11?,13-,14?,15?,17?/m1/s1.
What are the key properties of 5-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
5-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methyl-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 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide is sourced from PubChem (CID 118242497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).