N-(1-methylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C12H15N3O — CID 146085431

IUPACN-(1-methylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCn1cc(NC(=O)C2CC3C=CC2C3)cn1
InChIInChI=1S/C12H15N3O/c1-15-7-10(6-13-15)14-12(16)11-5-8-2-3-9(11)4-8/h2-3,6-9,11H,4-5H2,1H3,(H,14,16)
InChIKeyJQLDZVTUQRHYMZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.57
Rot. Bonds2

About N-(1-methylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(1-methylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 146085431) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID146085431
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-(1-methylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCn1cc(NC(=O)C2CC3C=CC2C3)cn1
InChIInChI=1S/C12H15N3O/c1-15-7-10(6-13-15)14-12(16)11-5-8-2-3-9(11)4-8/h2-3,6-9,11H,4-5H2,1H3,(H,14,16)
InChIKeyJQLDZVTUQRHYMZ-UHFFFAOYSA-N
XLogP1.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98514685
N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906596
(1R,2S,4S)-N-[4-(3-methylbutanoylamino)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98273326
(2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide
CID 175500710
N-[3,5-bis(trifluoromethyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 5092512
(1R,2S,4R)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 134707303
(1R,2S,4S)-N-[3-(1-methyltetrazol-5-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98341302
(1R,2R,4S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98145298
(1R,2R,4R)-N-(1-methylpyrazol-4-yl)sulfonylbicyclo[2.2.2]oct-5-ene-2-carboxamide
CID 166240630
N-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 13416955
3-[(1-methylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782962
N-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 60654763

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 146085431) is N-(1-methylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is Cn1cc(NC(=O)C2CC3C=CC2C3)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is JQLDZVTUQRHYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-7-10(6-13-15)14-12(16)11-5-8-2-3-9(11)4-8/h2-3,6-9,11H,4-5H2,1H3,(H,14,16).
What are the key properties of N-(1-methylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(1-methylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 146085431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).