1-[2-[(1R,2S)-2-ethenyl-2-methylcyclohexyl]prop-2-enyl]pyrazole

C15H22N2 — CID 170191209

IUPAC1-[2-[(1R,2S)-2-ethenyl-2-methylcyclohexyl]prop-2-enyl]pyrazole
SMILESC=C[C@]1(C)CCCC[C@H]1C(=C)Cn1cccn1
InChIInChI=1S/C15H22N2/c1-4-15(3)9-6-5-8-14(15)13(2)12-17-11-7-10-16-17/h4,7,10-11,14H,1-2,5-6,8-9,12H2,3H3/t14-,15+/m0/s1
InChIKeyRZGBTSAAZQKPDS-LSDHHAIUSA-N
MW230.35 g/mol
LogP3.82
Rot. Bonds4

About 1-[2-[(1R,2S)-2-ethenyl-2-methylcyclohexyl]prop-2-enyl]pyrazole

1-[2-[(1R,2S)-2-ethenyl-2-methylcyclohexyl]prop-2-enyl]pyrazole (PubChem CID 170191209) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-[2-[(1R,2S)-2-ethenyl-2-methylcyclohexyl]prop-2-enyl]pyrazole.

Molecular Properties

Compound Name1-[2-[(1R,2S)-2-ethenyl-2-methylcyclohexyl]prop-2-enyl]pyrazole
PubChem CID170191209
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-[2-[(1R,2S)-2-ethenyl-2-methylcyclohexyl]prop-2-enyl]pyrazole
SMILESC=C[C@]1(C)CCCC[C@H]1C(=C)Cn1cccn1
InChIInChI=1S/C15H22N2/c1-4-15(3)9-6-5-8-14(15)13(2)12-17-11-7-10-16-17/h4,7,10-11,14H,1-2,5-6,8-9,12H2,3H3/t14-,15+/m0/s1
InChIKeyRZGBTSAAZQKPDS-LSDHHAIUSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(1R,2S,5R)-5-but-1-en-2-yl-2-ethenyl-2-methylcyclohexyl]prop-2-enyl]pyrazole
CID 170191031
(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2,3,13-trimethyl-17-(3-pyrazol-1-ylprop-1-en-2-yl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 158449242
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone
CID 80707191
1-[(2E)-2-ethenyl-4-fluoro-5-methylhexa-2,4-dienyl]pyrazole
CID 171090123
(2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine
CID 95325556
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone
CID 103726876
1-[(1R,3aR,5aS,6S,10aS)-1-hydroxy-1,5a-dimethyl-2,3,3a,3b,4,5,6,7,8,8a,8b,9,10,10a-tetradecahydroindeno[5,4-e]inden-6-yl]-2-pyrazol-1-ylethanone
CID 165371741
N-[(3-methylpiperidin-3-yl)methyl]-2-pyrazol-1-ylacetamide
CID 113400450
1-[2-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 63255447
ethyl 2-[cyclopropyl-(2-pyrazol-1-ylacetyl)amino]acetate
CID 54984137
N-(2,2-dimethylcyclohexyl)-4-(pyrazol-1-ylmethyl)aniline
CID 79834941
1-[(3R,5R,10S,13S,17S)-3-hydroxy-3-methyl-1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazol-1-ylethanone
CID 167407619

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,2S)-2-ethenyl-2-methylcyclohexyl]prop-2-enyl]pyrazole?
The IUPAC name of 1-[2-[(1R,2S)-2-ethenyl-2-methylcyclohexyl]prop-2-enyl]pyrazole (CID 170191209) is 1-[2-[(1R,2S)-2-ethenyl-2-methylcyclohexyl]prop-2-enyl]pyrazole.
What is the SMILES notation for 1-[2-[(1R,2S)-2-ethenyl-2-methylcyclohexyl]prop-2-enyl]pyrazole?
The canonical SMILES for 1-[2-[(1R,2S)-2-ethenyl-2-methylcyclohexyl]prop-2-enyl]pyrazole is C=C[C@]1(C)CCCC[C@H]1C(=C)Cn1cccn1.
What is the InChIKey of 1-[2-[(1R,2S)-2-ethenyl-2-methylcyclohexyl]prop-2-enyl]pyrazole?
The InChIKey is RZGBTSAAZQKPDS-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-15(3)9-6-5-8-14(15)13(2)12-17-11-7-10-16-17/h4,7,10-11,14H,1-2,5-6,8-9,12H2,3H3/t14-,15+/m0/s1.
What are the key properties of 1-[2-[(1R,2S)-2-ethenyl-2-methylcyclohexyl]prop-2-enyl]pyrazole?
1-[2-[(1R,2S)-2-ethenyl-2-methylcyclohexyl]prop-2-enyl]pyrazole has a molecular weight of 230.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,2S)-2-ethenyl-2-methylcyclohexyl]prop-2-enyl]pyrazole is sourced from PubChem (CID 170191209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).