N-(3-cyclobutyl-1-methylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C16H21N3O — CID 71916475

IUPACN-(3-cyclobutyl-1-methylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCn1nc(C2CCC2)cc1NC(=O)C1CC2C=CC1C2
InChIInChI=1S/C16H21N3O/c1-19-15(9-14(18-19)11-3-2-4-11)17-16(20)13-8-10-5-6-12(13)7-10/h5-6,9-13H,2-4,7-8H2,1H3,(H,17,20)
InChIKeyJYZKPLSAOYGWQR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.84
Rot. Bonds3

About N-(3-cyclobutyl-1-methylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(3-cyclobutyl-1-methylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 71916475) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3-cyclobutyl-1-methylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyclobutyl-1-methylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID71916475
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(3-cyclobutyl-1-methylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCn1nc(C2CCC2)cc1NC(=O)C1CC2C=CC1C2
InChIInChI=1S/C16H21N3O/c1-19-15(9-14(18-19)11-3-2-4-11)17-16(20)13-8-10-5-6-12(13)7-10/h5-6,9-13H,2-4,7-8H2,1H3,(H,17,20)
InChIKeyJYZKPLSAOYGWQR-UHFFFAOYSA-N
XLogP2.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(3-cyclobutyl-1-methylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(3-cyclobutyl-1-methylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 71916475) is N-(3-cyclobutyl-1-methylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(3-cyclobutyl-1-methylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(3-cyclobutyl-1-methylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is Cn1nc(C2CCC2)cc1NC(=O)C1CC2C=CC1C2.
What is the InChIKey of N-(3-cyclobutyl-1-methylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is JYZKPLSAOYGWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19-15(9-14(18-19)11-3-2-4-11)17-16(20)13-8-10-5-6-12(13)7-10/h5-6,9-13H,2-4,7-8H2,1H3,(H,17,20).
What are the key properties of N-(3-cyclobutyl-1-methylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(3-cyclobutyl-1-methylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutyl-1-methylpyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 71916475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).