N-[1-(oxolan-3-yl)pyrazol-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C15H19N3O2 — CID 72719630

IUPACN-[1-(oxolan-3-yl)pyrazol-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(Nc1cnn(C2CCOC2)c1)C1CC2C=CC1C2
InChIInChI=1S/C15H19N3O2/c19-15(14-6-10-1-2-11(14)5-10)17-12-7-16-18(8-12)13-3-4-20-9-13/h1-2,7-8,10-11,13-14H,3-6,9H2,(H,17,19)
InChIKeyKHHROPMGFLXFBO-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.00
Rot. Bonds3

About N-[1-(oxolan-3-yl)pyrazol-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-[1-(oxolan-3-yl)pyrazol-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 72719630) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)pyrazol-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)pyrazol-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID72719630
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[1-(oxolan-3-yl)pyrazol-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(Nc1cnn(C2CCOC2)c1)C1CC2C=CC1C2
InChIInChI=1S/C15H19N3O2/c19-15(14-6-10-1-2-11(14)5-10)17-12-7-16-18(8-12)13-3-4-20-9-13/h1-2,7-8,10-11,13-14H,3-6,9H2,(H,17,19)
InChIKeyKHHROPMGFLXFBO-UHFFFAOYSA-N
XLogP2.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428018
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(2-methoxyethyl)pyrazol-4-amine
CID 43787731
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43787744
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43790960
Methyl 2-[4-[(2-cyclopent-2-en-1-ylacetyl)amino]pyrazol-1-yl]acetate
CID 47291936
2-N-(1-methylpyrazol-4-yl)-3-N,3-N-dipropylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 53548798
2-cyclopent-2-en-1-yl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]acetamide
CID 53589920
Methyl 2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)pyrazol-1-yl]acetate
CID 61018637
2-[4-(Bicyclo[2.2.1]hept-5-ene-2-carbonylamino)pyrazol-1-yl]acetic acid
CID 61019025
N-(1-piperidin-4-ylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 64182353
2-(aminomethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 65895706
2-cyclopentyl-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)acetamide
CID 71810173

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)pyrazol-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-[1-(oxolan-3-yl)pyrazol-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 72719630) is N-[1-(oxolan-3-yl)pyrazol-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-[1-(oxolan-3-yl)pyrazol-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-[1-(oxolan-3-yl)pyrazol-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=C(Nc1cnn(C2CCOC2)c1)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(oxolan-3-yl)pyrazol-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is KHHROPMGFLXFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-15(14-6-10-1-2-11(14)5-10)17-12-7-16-18(8-12)13-3-4-20-9-13/h1-2,7-8,10-11,13-14H,3-6,9H2,(H,17,19).
What are the key properties of N-[1-(oxolan-3-yl)pyrazol-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-[1-(oxolan-3-yl)pyrazol-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)pyrazol-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 72719630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).