3-propan-2-yl-5-(3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-4H-pyrazole

C16H24N2 — CID 159781767

IUPAC3-propan-2-yl-5-(3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-4H-pyrazole
SMILESCC(C)C1=NN=C(C2C3C=CC(C3)C2C(C)C)C1
InChIInChI=1S/C16H24N2/c1-9(2)13-8-14(18-17-13)16-12-6-5-11(7-12)15(16)10(3)4/h5-6,9-12,15-16H,7-8H2,1-4H3
InChIKeyOAAJUOQJNFGZNP-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.94
Rot. Bonds3

About 3-propan-2-yl-5-(3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-4H-pyrazole

3-propan-2-yl-5-(3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-4H-pyrazole (PubChem CID 159781767) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-propan-2-yl-5-(3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-4H-pyrazole.

Molecular Properties

Compound Name3-propan-2-yl-5-(3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-4H-pyrazole
PubChem CID159781767
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-propan-2-yl-5-(3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-4H-pyrazole
SMILESCC(C)C1=NN=C(C2C3C=CC(C3)C2C(C)C)C1
InChIInChI=1S/C16H24N2/c1-9(2)13-8-14(18-17-13)16-12-6-5-11(7-12)15(16)10(3)4/h5-6,9-12,15-16H,7-8H2,1-4H3
InChIKeyOAAJUOQJNFGZNP-UHFFFAOYSA-N
XLogP3.94
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
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 3-propan-2-yl-5-(3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-4H-pyrazole?
The IUPAC name of 3-propan-2-yl-5-(3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-4H-pyrazole (CID 159781767) is 3-propan-2-yl-5-(3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-4H-pyrazole.
What is the SMILES notation for 3-propan-2-yl-5-(3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-4H-pyrazole?
The canonical SMILES for 3-propan-2-yl-5-(3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-4H-pyrazole is CC(C)C1=NN=C(C2C3C=CC(C3)C2C(C)C)C1.
What is the InChIKey of 3-propan-2-yl-5-(3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-4H-pyrazole?
The InChIKey is OAAJUOQJNFGZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-9(2)13-8-14(18-17-13)16-12-6-5-11(7-12)15(16)10(3)4/h5-6,9-12,15-16H,7-8H2,1-4H3.
What are the key properties of 3-propan-2-yl-5-(3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-4H-pyrazole?
3-propan-2-yl-5-(3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-4H-pyrazole has a molecular weight of 244.38 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-4H-pyrazole is sourced from PubChem (CID 159781767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).