1-[2-[(1R,2R)-2-ethenyl-2,3-dimethylcyclopentyl]prop-2-enyl]pyrazole

C15H22N2 — CID 170191307

IUPAC1-[2-[(1R,2R)-2-ethenyl-2,3-dimethylcyclopentyl]prop-2-enyl]pyrazole
SMILESC=C[C@]1(C)C(C)CC[C@H]1C(=C)Cn1cccn1
InChIInChI=1S/C15H22N2/c1-5-15(4)13(3)7-8-14(15)12(2)11-17-10-6-9-16-17/h5-6,9-10,13-14H,1-2,7-8,11H2,3-4H3/t13?,14-,15+/m0/s1
InChIKeyJKGQVKYWWZDVRV-NOYMGPGASA-N
MW230.35 g/mol
LogP3.68
Rot. Bonds4

About 1-[2-[(1R,2R)-2-ethenyl-2,3-dimethylcyclopentyl]prop-2-enyl]pyrazole

1-[2-[(1R,2R)-2-ethenyl-2,3-dimethylcyclopentyl]prop-2-enyl]pyrazole (PubChem CID 170191307) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-[2-[(1R,2R)-2-ethenyl-2,3-dimethylcyclopentyl]prop-2-enyl]pyrazole.

Molecular Properties

Compound Name1-[2-[(1R,2R)-2-ethenyl-2,3-dimethylcyclopentyl]prop-2-enyl]pyrazole
PubChem CID170191307
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-[2-[(1R,2R)-2-ethenyl-2,3-dimethylcyclopentyl]prop-2-enyl]pyrazole
SMILESC=C[C@]1(C)C(C)CC[C@H]1C(=C)Cn1cccn1
InChIInChI=1S/C15H22N2/c1-5-15(4)13(3)7-8-14(15)12(2)11-17-10-6-9-16-17/h5-6,9-10,13-14H,1-2,7-8,11H2,3-4H3/t13?,14-,15+/m0/s1
InChIKeyJKGQVKYWWZDVRV-NOYMGPGASA-N
XLogP3.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.68
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 1-[2-[(1R,2R)-2-ethenyl-2,3-dimethylcyclopentyl]prop-2-enyl]pyrazole?
The IUPAC name of 1-[2-[(1R,2R)-2-ethenyl-2,3-dimethylcyclopentyl]prop-2-enyl]pyrazole (CID 170191307) is 1-[2-[(1R,2R)-2-ethenyl-2,3-dimethylcyclopentyl]prop-2-enyl]pyrazole.
What is the SMILES notation for 1-[2-[(1R,2R)-2-ethenyl-2,3-dimethylcyclopentyl]prop-2-enyl]pyrazole?
The canonical SMILES for 1-[2-[(1R,2R)-2-ethenyl-2,3-dimethylcyclopentyl]prop-2-enyl]pyrazole is C=C[C@]1(C)C(C)CC[C@H]1C(=C)Cn1cccn1.
What is the InChIKey of 1-[2-[(1R,2R)-2-ethenyl-2,3-dimethylcyclopentyl]prop-2-enyl]pyrazole?
The InChIKey is JKGQVKYWWZDVRV-NOYMGPGASA-N. The full InChI is InChI=1S/C15H22N2/c1-5-15(4)13(3)7-8-14(15)12(2)11-17-10-6-9-16-17/h5-6,9-10,13-14H,1-2,7-8,11H2,3-4H3/t13?,14-,15+/m0/s1.
What are the key properties of 1-[2-[(1R,2R)-2-ethenyl-2,3-dimethylcyclopentyl]prop-2-enyl]pyrazole?
1-[2-[(1R,2R)-2-ethenyl-2,3-dimethylcyclopentyl]prop-2-enyl]pyrazole has a molecular weight of 230.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,2R)-2-ethenyl-2,3-dimethylcyclopentyl]prop-2-enyl]pyrazole is sourced from PubChem (CID 170191307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).