N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C12H15N3O — CID 61284123

IUPACN-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(NCc1ccn[nH]1)C1CC2C=CC1C2
InChIInChI=1S/C12H15N3O/c16-12(13-7-10-3-4-14-15-10)11-6-8-1-2-9(11)5-8/h1-4,8-9,11H,5-7H2,(H,13,16)(H,14,15)
InChIKeyVIAPCDQCMWGGFJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.24
Rot. Bonds3

About N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 61284123) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID61284123
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(NCc1ccn[nH]1)C1CC2C=CC1C2
InChIInChI=1S/C12H15N3O/c16-12(13-7-10-3-4-14-15-10)11-6-8-1-2-9(11)5-8/h1-4,8-9,11H,5-7H2,(H,13,16)(H,14,15)
InChIKeyVIAPCDQCMWGGFJ-UHFFFAOYSA-N
XLogP1.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 61284123) is N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=C(NCc1ccn[nH]1)C1CC2C=CC1C2.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is VIAPCDQCMWGGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-12(13-7-10-3-4-14-15-10)11-6-8-1-2-9(11)5-8/h1-4,8-9,11H,5-7H2,(H,13,16)(H,14,15).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 61284123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).